(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide

C15H16N2O3S2 — CID 9190933

IUPAC(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccsc3)cc21
InChIInChI=1S/C15H16N2O3S2/c1-10-13-7-12(3-4-14(13)16-15(10)18)22(19,20)17(2)8-11-5-6-21-9-11/h3-7,9-10H,8H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyXWWMFQZOKJATAN-JTQLQIEISA-N
MW336.44 g/mol
LogP2.62
Rot. Bonds4

About (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide

(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 9190933) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
PubChem CID9190933
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccsc3)cc21
InChIInChI=1S/C15H16N2O3S2/c1-10-13-7-12(3-4-14(13)16-15(10)18)22(19,20)17(2)8-11-5-6-21-9-11/h3-7,9-10H,8H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyXWWMFQZOKJATAN-JTQLQIEISA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617
(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187654
(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188492
N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115318993
N,N-diethyl-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188873
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
CID 9186128
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115329710
2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide
CID 9187509
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
2-[methyl-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonyl]amino]propanoic acid
CID 62626247

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide (CID 9190933) is (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide is C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccsc3)cc21.
What is the InChIKey of (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is XWWMFQZOKJATAN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-13-7-12(3-4-14(13)16-15(10)18)22(19,20)17(2)8-11-5-6-21-9-11/h3-7,9-10H,8H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9190933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).