N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide

C15H23N3O3S — CID 119807200

IUPACN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)C2CCNC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-12-3-5-14(6-4-12)22(20,21)17-9-10-18(2)15(19)13-7-8-16-11-13/h3-6,13,16-17H,7-11H2,1-2H3
InChIKeyNUYVAPAHYUUQJF-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.34
Rot. Bonds6

About N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide

N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 119807200) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
PubChem CID119807200
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)C2CCNC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-12-3-5-14(6-4-12)22(20,21)17-9-10-18(2)15(19)13-7-8-16-11-13/h3-6,13,16-17H,7-11H2,1-2H3
InChIKeyNUYVAPAHYUUQJF-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120935535
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337006
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide
CID 119805938
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 15995514
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939996
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide (CID 119807200) is N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide is Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C2CCNC2)cc1.
What is the InChIKey of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is NUYVAPAHYUUQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-3-5-14(6-4-12)22(20,21)17-9-10-18(2)15(19)13-7-8-16-11-13/h3-6,13,16-17H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119807200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).