N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide

C14H21N3O5S2 — CID 113065192

IUPACN-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H21N3O5S2/c1-11(18)16-12-3-7-14(8-4-12)24(21,22)15-9-10-17(13-5-6-13)23(2,19)20/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyXVIDCXLKCPRYHD-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.35
Rot. Bonds8

About N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide

N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide (PubChem CID 113065192) has the molecular formula C14H21N3O5S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
PubChem CID113065192
Molecular FormulaC14H21N3O5S2
Molecular Weight375.47 g/mol
Exact Mass375.09
IUPAC NameN-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H21N3O5S2/c1-11(18)16-12-3-7-14(8-4-12)24(21,22)15-9-10-17(13-5-6-13)23(2,19)20/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyXVIDCXLKCPRYHD-UHFFFAOYSA-N
XLogP0.35
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 113065868
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate
CID 55702798
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide (CID 113065192) is N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is XVIDCXLKCPRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S2/c1-11(18)16-12-3-7-14(8-4-12)24(21,22)15-9-10-17(13-5-6-13)23(2,19)20/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 113065192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).