1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide

C20H18N2O3S2 — CID 110292520

IUPAC1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc(-c4ccccc4)s3)ccc21
InChIInChI=1S/C20H18N2O3S2/c1-22-18-9-8-17(11-15(18)12-20(22)23)27(24,25)21-13-16-7-10-19(26-16)14-5-3-2-4-6-14/h2-11,21H,12-13H2,1H3
InChIKeyUDGFPGIDRRBIRC-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.41
Rot. Bonds5

About 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide

1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide (PubChem CID 110292520) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide
PubChem CID110292520
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc(-c4ccccc4)s3)ccc21
InChIInChI=1S/C20H18N2O3S2/c1-22-18-9-8-17(11-15(18)12-20(22)23)27(24,25)21-13-16-7-10-19(26-16)14-5-3-2-4-6-14/h2-11,21H,12-13H2,1H3
InChIKeyUDGFPGIDRRBIRC-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(2-thienylmethyl)amino]sulfonyl}indolin-2-one
CID 1511491
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
4-oxo-4-(5-{[(thien-2-ylmethyl)amino]sulfonyl}-2,3-dihydro-1H-indol-1-yl)butanoic acid
CID 3242012
1-propionyl-N-(thien-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3245271
N-Benzyl-2-methyl-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 6621653
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 12006182
1-methyl-2-oxo-N-(2-phenylpropyl)-3H-indole-5-sulfonamide
CID 16021499
3-isopropyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindoline-5-sulfonamide
CID 16024248
N-[(2,5-Dimethylphenyl)methyl]-1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 16025352

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide (CID 110292520) is 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc(-c4ccccc4)s3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide?
The InChIKey is UDGFPGIDRRBIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-22-18-9-8-17(11-15(18)12-20(22)23)27(24,25)21-13-16-7-10-19(26-16)14-5-3-2-4-6-14/h2-11,21H,12-13H2,1H3.
What are the key properties of 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide is sourced from PubChem (CID 110292520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).