N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide

C20H15N3O2S — CID 118729471

IUPACN-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H15N3O2S/c21-18(24)14-11-17(12-6-2-1-3-7-12)26-20(14)23-19(25)16-10-13-8-4-5-9-15(13)22-16/h1-11,22H,(H2,21,24)(H,23,25)
InChIKeyHSVPBOYFJAAXAJ-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.25
Rot. Bonds4

About N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide

N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide (PubChem CID 118729471) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide
PubChem CID118729471
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H15N3O2S/c21-18(24)14-11-17(12-6-2-1-3-7-12)26-20(14)23-19(25)16-10-13-8-4-5-9-15(13)22-16/h1-11,22H,(H2,21,24)(H,23,25)
InChIKeyHSVPBOYFJAAXAJ-UHFFFAOYSA-N
XLogP4.25
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide (CID 118729471) is N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide?
The InChIKey is HSVPBOYFJAAXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c21-18(24)14-11-17(12-6-2-1-3-7-12)26-20(14)23-19(25)16-10-13-8-4-5-9-15(13)22-16/h1-11,22H,(H2,21,24)(H,23,25).
What are the key properties of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide?
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 118729471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).