N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

C22H23N3O2S2 — CID 75371409

IUPACN-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C22H23N3O2S2/c1-15-6-9-17(23-21(26)16-7-8-16)12-20(15)24-22(27)25(13-18-4-2-10-28-18)14-19-5-3-11-29-19/h2-6,9-12,16H,7-8,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyIOSBCYWILPYXRY-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.70
Rot. Bonds7

About N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 75371409) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID75371409
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C22H23N3O2S2/c1-15-6-9-17(23-21(26)16-7-8-16)12-20(15)24-22(27)25(13-18-4-2-10-28-18)14-19-5-3-11-29-19/h2-6,9-12,16H,7-8,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyIOSBCYWILPYXRY-UHFFFAOYSA-N
XLogP5.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55711740
N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide
CID 55741917
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742102
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528930
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528963
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
5-(cyclopropanecarbonylamino)-3-methyl-N-propyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 99821944
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide (CID 75371409) is N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is IOSBCYWILPYXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-15-6-9-17(23-21(26)16-7-8-16)12-20(15)24-22(27)25(13-18-4-2-10-28-18)14-19-5-3-11-29-19/h2-6,9-12,16H,7-8,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 425.58 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 75371409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).