N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide

C23H29N3O3S — CID 20888248

IUPACN-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1
InChIInChI=1S/C23H29N3O3S/c1-16-6-9-25(10-7-16)30(28,29)21-4-5-22-19(15-21)8-11-26(22)23(27)24-20-13-17(2)12-18(3)14-20/h4-5,12-16H,6-11H2,1-3H3,(H,24,27)
InChIKeyJBBULYHSOONWOM-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.32
Rot. Bonds3

About N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide

N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 20888248) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID20888248
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1
InChIInChI=1S/C23H29N3O3S/c1-16-6-9-25(10-7-16)30(28,29)21-4-5-22-19(15-21)8-11-26(22)23(27)24-20-13-17(2)12-18(3)14-20/h4-5,12-16H,6-11H2,1-3H3,(H,24,27)
InChIKeyJBBULYHSOONWOM-UHFFFAOYSA-N
XLogP4.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736687
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4510832
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 53124723
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 44624249
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058948
(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)butanamide
CID 92708697
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 1327310
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 53124712

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide (CID 20888248) is N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is JBBULYHSOONWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-16-6-9-25(10-7-16)30(28,29)21-4-5-22-19(15-21)8-11-26(22)23(27)24-20-13-17(2)12-18(3)14-20/h4-5,12-16H,6-11H2,1-3H3,(H,24,27).
What are the key properties of N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 20888248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).