N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide

C27H33N3O4S — CID 55667826

IUPACN-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1)C1CCCCC1
InChIInChI=1S/C27H33N3O4S/c31-26(20-8-3-1-4-9-20)28-23-11-7-10-22(18-23)27(32)30-17-14-21-19-24(12-13-25(21)30)35(33,34)29-15-5-2-6-16-29/h7,10-13,18-20H,1-6,8-9,14-17H2,(H,28,31)
InChIKeyMLTQQGISVKDTMN-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.58
Rot. Bonds5

About N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide

N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide (PubChem CID 55667826) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
PubChem CID55667826
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC NameN-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1)C1CCCCC1
InChIInChI=1S/C27H33N3O4S/c31-26(20-8-3-1-4-9-20)28-23-11-7-10-22(18-23)27(32)30-17-14-21-19-24(12-13-25(21)30)35(33,34)29-15-5-2-6-16-29/h7,10-13,18-20H,1-6,8-9,14-17H2,(H,28,31)
InChIKeyMLTQQGISVKDTMN-UHFFFAOYSA-N
XLogP4.58
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92714921
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide (CID 55667826) is N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1)C1CCCCC1.
What is the InChIKey of N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide?
The InChIKey is MLTQQGISVKDTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c31-26(20-8-3-1-4-9-20)28-23-11-7-10-22(18-23)27(32)30-17-14-21-19-24(12-13-25(21)30)35(33,34)29-15-5-2-6-16-29/h7,10-13,18-20H,1-6,8-9,14-17H2,(H,28,31).
What are the key properties of N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide?
N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide has a molecular weight of 495.65 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 55667826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).