2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide

C18H21N3O2S — CID 9169110

IUPAC2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)CNC1CCCC1
InChIInChI=1S/C18H21N3O2S/c19-17(23)14-10-15(12-6-2-1-3-7-12)24-18(14)21-16(22)11-20-13-8-4-5-9-13/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H2,19,23)(H,21,22)
InChIKeyZVYVRPWNEZMKPF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.98
Rot. Bonds6

About 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide

2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide (PubChem CID 9169110) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
PubChem CID9169110
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)CNC1CCCC1
InChIInChI=1S/C18H21N3O2S/c19-17(23)14-10-15(12-6-2-1-3-7-12)24-18(14)21-16(22)11-20-13-8-4-5-9-13/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H2,19,23)(H,21,22)
InChIKeyZVYVRPWNEZMKPF-UHFFFAOYSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
CID 3534907
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide
CID 68715173
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
CID 841453
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
CID 16857900
2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5-phenylthiophene-3-carboxamide
CID 16857906
(2R)-N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27452148
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16828820
2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
CID 67078144
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 7998372

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide (CID 9169110) is 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CNC1CCCC1.
What is the InChIKey of 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is ZVYVRPWNEZMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c19-17(23)14-10-15(12-6-2-1-3-7-12)24-18(14)21-16(22)11-20-13-8-4-5-9-13/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H2,19,23)(H,21,22).
What are the key properties of 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide?
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 9169110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).