N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide

C32H37N3O5S — CID 3190791

IUPACN-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C32H37N3O5S/c1-38-27-16-21(17-28(39-2)31(27)40-3)30(32(37)34-23-10-5-4-6-11-23)35(20-24-12-9-15-41-24)29(36)18-22-19-33-26-14-8-7-13-25(22)26/h7-9,12-17,19,23,30,33H,4-6,10-11,18,20H2,1-3H3,(H,34,37)
InChIKeyNIEGJHLVHZSJBX-UHFFFAOYSA-N
MW575.73 g/mol
LogP6.02
Rot. Bonds11

About N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide

N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 3190791) has the molecular formula C32H37N3O5S and a molecular weight of 575.73 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID3190791
Molecular FormulaC32H37N3O5S
Molecular Weight575.73 g/mol
Exact Mass575.25
IUPAC NameN-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C32H37N3O5S/c1-38-27-16-21(17-28(39-2)31(27)40-3)30(32(37)34-23-10-5-4-6-11-23)35(20-24-12-9-15-41-24)29(36)18-22-19-33-26-14-8-7-13-25(22)26/h7-9,12-17,19,23,30,33H,4-6,10-11,18,20H2,1-3H3,(H,34,37)
InChIKeyNIEGJHLVHZSJBX-UHFFFAOYSA-N
XLogP6.02
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.73
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 3190791) is N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NIEGJHLVHZSJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5S/c1-38-27-16-21(17-28(39-2)31(27)40-3)30(32(37)34-23-10-5-4-6-11-23)35(20-24-12-9-15-41-24)29(36)18-22-19-33-26-14-8-7-13-25(22)26/h7-9,12-17,19,23,30,33H,4-6,10-11,18,20H2,1-3H3,(H,34,37).
What are the key properties of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 575.73 g/mol, XLogP of 6.02, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 3190791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).