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

C18H14N4O2S — CID 59189701

IUPAC6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3csc4ccccc34)ccc2c1C(N)=O
InChIInChI=1S/C18H14N4O2S/c19-16(23)15-11-6-5-9(7-13(11)21-17(15)22-18(20)24)12-8-25-14-4-2-1-3-10(12)14/h1-8,21H,(H2,19,23)(H3,20,22,24)
InChIKeyPGXGDYDJSCOKCL-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.64
Rot. Bonds3

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

6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide (PubChem CID 59189701) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
PubChem CID59189701
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3csc4ccccc34)ccc2c1C(N)=O
InChIInChI=1S/C18H14N4O2S/c19-16(23)15-11-6-5-9(7-13(11)21-17(15)22-18(20)24)12-8-25-14-4-2-1-3-10(12)14/h1-8,21H,(H2,19,23)(H3,20,22,24)
InChIKeyPGXGDYDJSCOKCL-UHFFFAOYSA-N
XLogP3.64
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-Methylphenyl)-4-(2-thienyl)-1H-indole-7-carboxamide
CID 117773614
N-[2-(1H-benzimidazol-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 17534552
5,6-dimethyl-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The IUPAC name of 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide (CID 59189701) is 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3csc4ccccc34)ccc2c1C(N)=O.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The InChIKey is PGXGDYDJSCOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c19-16(23)15-11-6-5-9(7-13(11)21-17(15)22-18(20)24)12-8-25-14-4-2-1-3-10(12)14/h1-8,21H,(H2,19,23)(H3,20,22,24).
What are the key properties of 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 59189701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).