[5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate

C60H62N4O10S4 — CID 87945107

IUPAC[5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CC(C(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)C(COC(=O)N(Cc2cccs2)Cc2cccs2)OC(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C60H62N4O10S4/c1-69-47-21-13-43(14-22-47)34-61(35-44-15-23-48(70-2)24-16-44)57(65)33-55(58(66)62(36-45-17-25-49(71-3)26-18-45)37-46-19-27-50(72-4)28-20-46)56(74-60(68)64(40-53-11-7-31-77-53)41-54-12-8-32-78-54)42-73-59(67)63(38-51-9-5-29-75-51)39-52-10-6-30-76-52/h5-32,55-56H,33-42H2,1-4H3
InChIKeyCGDYQNBVWGPSNW-UHFFFAOYSA-N
MW1127.44 g/mol
LogP12.78
Rot. Bonds27

About [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate

[5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate (PubChem CID 87945107) has the molecular formula C60H62N4O10S4 and a molecular weight of 1127.44 g/mol. Its IUPAC name is [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate
PubChem CID87945107
Molecular FormulaC60H62N4O10S4
Molecular Weight1127.44 g/mol
Exact Mass1126.33
IUPAC Name[5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CC(C(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)C(COC(=O)N(Cc2cccs2)Cc2cccs2)OC(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C60H62N4O10S4/c1-69-47-21-13-43(14-22-47)34-61(35-44-15-23-48(70-2)24-16-44)57(65)33-55(58(66)62(36-45-17-25-49(71-3)26-18-45)37-46-19-27-50(72-4)28-20-46)56(74-60(68)64(40-53-11-7-31-77-53)41-54-12-8-32-78-54)42-73-59(67)63(38-51-9-5-29-75-51)39-52-10-6-30-76-52/h5-32,55-56H,33-42H2,1-4H3
InChIKeyCGDYQNBVWGPSNW-UHFFFAOYSA-N
XLogP12.78
TPSA136.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.44
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate with MolForge

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 5145973
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 1059680
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-methylbutyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3980302
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-prop-2-enylacetamide
CID 42776382
[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739552
benzyl-[6-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamic acid
CID 175290691
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754

Frequently Asked Questions

What is the IUPAC name of [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate?
The IUPAC name of [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate (CID 87945107) is [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate is COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CC(C(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)C(COC(=O)N(Cc2cccs2)Cc2cccs2)OC(=O)N(Cc2cccs2)Cc2cccs2)cc1.
What is the InChIKey of [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate?
The InChIKey is CGDYQNBVWGPSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62N4O10S4/c1-69-47-21-13-43(14-22-47)34-61(35-44-15-23-48(70-2)24-16-44)57(65)33-55(58(66)62(36-45-17-25-49(71-3)26-18-45)37-46-19-27-50(72-4)28-20-46)56(74-60(68)64(40-53-11-7-31-77-53)41-54-12-8-32-78-54)42-73-59(67)63(38-51-9-5-29-75-51)39-52-10-6-30-76-52/h5-32,55-56H,33-42H2,1-4H3.
What are the key properties of [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate?
[5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate has a molecular weight of 1127.44 g/mol, XLogP of 12.78, 27 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 87945107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).