N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

C27H27N3O4S — CID 55711809

IUPACN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C27H27N3O4S/c1-18-11-14-22(28-26(31)20-12-13-20)17-24(18)29-27(32)21-7-4-9-23(16-21)35(33,34)30-15-5-8-19-6-2-3-10-25(19)30/h2-4,6-7,9-11,14,16-17,20H,5,8,12-13,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyJRDBNOWBYVEIBK-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.74
Rot. Bonds6

About N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (PubChem CID 55711809) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
PubChem CID55711809
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C27H27N3O4S/c1-18-11-14-22(28-26(31)20-12-13-20)17-24(18)29-27(32)21-7-4-9-23(16-21)35(33,34)30-15-5-8-19-6-2-3-10-25(19)30/h2-4,6-7,9-11,14,16-17,20H,5,8,12-13,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyJRDBNOWBYVEIBK-UHFFFAOYSA-N
XLogP4.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 55614093
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46467572

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (CID 55711809) is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The InChIKey is JRDBNOWBYVEIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-18-11-14-22(28-26(31)20-12-13-20)17-24(18)29-27(32)21-7-4-9-23(16-21)35(33,34)30-15-5-8-19-6-2-3-10-25(19)30/h2-4,6-7,9-11,14,16-17,20H,5,8,12-13,15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide has a molecular weight of 489.60 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is sourced from PubChem (CID 55711809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).