2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide

C14H12N4O2S — CID 24987947

IUPAC2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3ccsc3)ccc2c1C(N)=O
InChIInChI=1S/C14H12N4O2S/c15-12(19)11-9-2-1-7(8-3-4-21-6-8)5-10(9)17-13(11)18-14(16)20/h1-6,17H,(H2,15,19)(H3,16,18,20)
InChIKeyUHCAHVUHHJXABU-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.49
Rot. Bonds3

About 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide

2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide (PubChem CID 24987947) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide
PubChem CID24987947
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3ccsc3)ccc2c1C(N)=O
InChIInChI=1S/C14H12N4O2S/c15-12(19)11-9-2-1-7(8-3-4-21-6-8)5-10(9)17-13(11)18-14(16)20/h1-6,17H,(H2,15,19)(H3,16,18,20)
InChIKeyUHCAHVUHHJXABU-UHFFFAOYSA-N
XLogP2.49
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-(Phenylsulfanyl)-3,9-Dihydro-4h-Pyrimido[4,5-B]indol-4-One
CID 135566834
3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylbenzamide
CID 44523947
4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide
CID 44523950
N-(4-butan-2-ylphenyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 134154694
6-[2-(2-thienyl)-1H-indol-3-yl]-5H-indolo[2,1-b]quinazolin-12-one
CID 122187442
US9567339, Example A.8.6
CID 86763195
2-(4-Methylphenyl)-4-(2-thienyl)-1H-indole-7-carboxamide
CID 117773614
N-[2-(1H-benzimidazol-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 17534552
N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide
CID 3392746
5-(2,5-Dimethylthiophen-3-YL)-1,3-dimethyl-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-D]pyrimidine-2,4-dione
CID 50813653
2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 24987221
2-Aminocarbonylamino-6-(4-fluorophenyl)indole-3-carboxamide
CID 24987225

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide (CID 24987947) is 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3ccsc3)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide?
The InChIKey is UHCAHVUHHJXABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-12(19)11-9-2-1-7(8-3-4-21-6-8)5-10(9)17-13(11)18-14(16)20/h1-6,17H,(H2,15,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-thiophen-3-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 24987947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).