N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide

C21H17N3O2S — CID 18474259

IUPACN-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H17N3O2S/c22-19(25)16-12-15(10-13-6-2-1-3-7-13)27-21(16)24-20(26)18-11-14-8-4-5-9-17(14)23-18/h1-9,11-12,23H,10H2,(H2,22,25)(H,24,26)
InChIKeyPMZDSYCIOMBINK-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.17
Rot. Bonds5

About N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide

N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide (PubChem CID 18474259) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide
PubChem CID18474259
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H17N3O2S/c22-19(25)16-12-15(10-13-6-2-1-3-7-13)27-21(16)24-20(26)18-11-14-8-4-5-9-17(14)23-18/h1-9,11-12,23H,10H2,(H2,22,25)(H,24,26)
InChIKeyPMZDSYCIOMBINK-UHFFFAOYSA-N
XLogP4.17
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454851
1-{[(5-chlorothiophen-2-yl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801159
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486592
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486615
N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
CID 122183512
N-{(Z)-1-[2-(1H-Indol-3-yl)-ethylcarbamoyl]-2-thiophen-2-yl-vinyl}-4-methyl-benzamide
CID 6509573
1H-Indole-2-carboxamide, 3-(phenylsulfonyl)-
CID 506863
N-{(E)-1-[2-(1H-Indol-3-yl)-ethylcarbamoyl]-2-thiophen-2-yl-vinyl}-benzamide
CID 1568295
N-[1-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-2-(2-thienyl)vinyl]-4-methylbenzamide
CID 1832584
4-acetyl-3,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 2089059
2-isobutyl-9-methyl-1-oxo-N-(thien-2-ylmethyl)-2,9-dihydro-1H-beta-carboline-4-carboxamide
CID 3240856

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide (CID 18474259) is N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide is NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide?
The InChIKey is PMZDSYCIOMBINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c22-19(25)16-12-15(10-13-6-2-1-3-7-13)27-21(16)24-20(26)18-11-14-8-4-5-9-17(14)23-18/h1-9,11-12,23H,10H2,(H2,22,25)(H,24,26).
What are the key properties of N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide?
N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-3-carbamoylthiophen-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 18474259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).