N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

C23H31N3O4S — CID 47007180

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(N(C)C)CCCC3)c2)cc1
InChIInChI=1S/C23H31N3O4S/c1-4-30-20-12-10-19(11-13-20)25-31(28,29)21-9-7-8-18(16-21)22(27)24-17-23(26(2)3)14-5-6-15-23/h7-13,16,25H,4-6,14-15,17H2,1-3H3,(H,24,27)
InChIKeyVDAJZZFKIDLIBG-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.49
Rot. Bonds9

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 47007180) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID47007180
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(N(C)C)CCCC3)c2)cc1
InChIInChI=1S/C23H31N3O4S/c1-4-30-20-12-10-19(11-13-20)25-31(28,29)21-9-7-8-18(16-21)22(27)24-17-23(26(2)3)14-5-6-15-23/h7-13,16,25H,4-6,14-15,17H2,1-3H3,(H,24,27)
InChIKeyVDAJZZFKIDLIBG-UHFFFAOYSA-N
XLogP3.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2501045
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
N-[2-(tert-butylamino)-2-oxoethyl]-3-[(4-ethoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24515644
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 47007180) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(N(C)C)CCCC3)c2)cc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is VDAJZZFKIDLIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-30-20-12-10-19(11-13-20)25-31(28,29)21-9-7-8-18(16-21)22(27)24-17-23(26(2)3)14-5-6-15-23/h7-13,16,25H,4-6,14-15,17H2,1-3H3,(H,24,27).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 47007180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).