2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide

C20H25N3O3S — CID 119536326

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-6-8-17(9-7-15)27(25,26)23-19-5-3-2-4-18(19)20(24)22-13-11-16-10-12-21-14-16/h2-9,16,21,23H,10-14H2,1H3,(H,22,24)
InChIKeyBADDILSCWZVYRI-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.53
Rot. Bonds7

About 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide

2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119536326) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119536326
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-6-8-17(9-7-15)27(25,26)23-19-5-3-2-4-18(19)20(24)22-13-11-16-10-12-21-14-16/h2-9,16,21,23H,10-14H2,1H3,(H,22,24)
InChIKeyBADDILSCWZVYRI-UHFFFAOYSA-N
XLogP2.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 75294143
2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557218
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536338
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119536326) is 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCC2CCNC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is BADDILSCWZVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-6-8-17(9-7-15)27(25,26)23-19-5-3-2-4-18(19)20(24)22-13-11-16-10-12-21-14-16/h2-9,16,21,23H,10-14H2,1H3,(H,22,24).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide?
2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119536326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).