[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H17NO3S2 — CID 53124466

IUPAC[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H17NO3S2/c1-14-13-15-7-5-6-10-17(15)21(14)20(22)18-11-12-19(25-18)26(23,24)16-8-3-2-4-9-16/h2-12,14H,13H2,1H3
InChIKeyAGJJUVMEJMVBHW-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.17
Rot. Bonds3

About [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 53124466) has the molecular formula C20H17NO3S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID53124466
Molecular FormulaC20H17NO3S2
Molecular Weight383.49 g/mol
Exact Mass383.06
IUPAC Name[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H17NO3S2/c1-14-13-15-7-5-6-10-17(15)21(14)20(22)18-11-12-19(25-18)26(23,24)16-8-3-2-4-9-16/h2-12,14H,13H2,1H3
InChIKeyAGJJUVMEJMVBHW-UHFFFAOYSA-N
XLogP4.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(benzenesulfonyl)thiophen-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95091593
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 61091919
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4731716
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 53124466) is [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is AGJJUVMEJMVBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S2/c1-14-13-15-7-5-6-10-17(15)21(14)20(22)18-11-12-19(25-18)26(23,24)16-8-3-2-4-9-16/h2-12,14H,13H2,1H3.
What are the key properties of [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 383.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 53124466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).