N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide

C23H27N3O3S — CID 167606152

IUPACN-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc3ccccn23)C2CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-24(4-2)30(28,29)22-14-8-18(9-15-22)23(27)26(20-10-11-20)17-21-13-12-19-7-5-6-16-25(19)21/h5-9,12-16,20H,3-4,10-11,17H2,1-2H3
InChIKeyOYKXERQHCLTTKO-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.77
Rot. Bonds8

About N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide

N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide (PubChem CID 167606152) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide
PubChem CID167606152
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc3ccccn23)C2CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-24(4-2)30(28,29)22-14-8-18(9-15-22)23(27)26(20-10-11-20)17-21-13-12-19-7-5-6-16-25(19)21/h5-9,12-16,20H,3-4,10-11,17H2,1-2H3
InChIKeyOYKXERQHCLTTKO-UHFFFAOYSA-N
XLogP3.77
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
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CID 90569862
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide
CID 90569861
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557433
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
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N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
CID 17482993

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide (CID 167606152) is N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc3ccccn23)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide?
The InChIKey is OYKXERQHCLTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-3-24(4-2)30(28,29)22-14-8-18(9-15-22)23(27)26(20-10-11-20)17-21-13-12-19-7-5-6-16-25(19)21/h5-9,12-16,20H,3-4,10-11,17H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide?
N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide has a molecular weight of 425.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(diethylsulfamoyl)-N-(indolizin-3-ylmethyl)benzamide is sourced from PubChem (CID 167606152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).