2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide

C27H29N3O2S — CID 166382007

IUPAC2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(NC(=O)C2(NC3CCCC3)Cc3ccccc3C2)c1
InChIInChI=1S/C27H29N3O2S/c31-25(28-18-24-13-6-14-33-24)19-9-5-12-23(15-19)29-26(32)27(30-22-10-3-4-11-22)16-20-7-1-2-8-21(20)17-27/h1-2,5-9,12-15,22,30H,3-4,10-11,16-18H2,(H,28,31)(H,29,32)
InChIKeyCBYXRPNDSQPIKI-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.69
Rot. Bonds7

About 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide

2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide (PubChem CID 166382007) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide
PubChem CID166382007
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC Name2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(NC(=O)C2(NC3CCCC3)Cc3ccccc3C2)c1
InChIInChI=1S/C27H29N3O2S/c31-25(28-18-24-13-6-14-33-24)19-9-5-12-23(15-19)29-26(32)27(30-22-10-3-4-11-22)16-20-7-1-2-8-21(20)17-27/h1-2,5-9,12-15,22,30H,3-4,10-11,16-18H2,(H,28,31)(H,29,32)
InChIKeyCBYXRPNDSQPIKI-UHFFFAOYSA-N
XLogP4.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 42889236
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N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119621057
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3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843
3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167922292
3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
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CID 97042716
3-[(1-benzyl-4-methylpyrrolidin-3-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381978
3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167903850
4-[(3-phenylmethoxyphenyl)methyl]-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide (CID 166382007) is 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide is O=C(NCc1cccs1)c1cccc(NC(=O)C2(NC3CCCC3)Cc3ccccc3C2)c1.
What is the InChIKey of 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is CBYXRPNDSQPIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c31-25(28-18-24-13-6-14-33-24)19-9-5-12-23(15-19)29-26(32)27(30-22-10-3-4-11-22)16-20-7-1-2-8-21(20)17-27/h1-2,5-9,12-15,22,30H,3-4,10-11,16-18H2,(H,28,31)(H,29,32).
What are the key properties of 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide?
2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 166382007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).