N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide

C14H21N3O3S — CID 115301298

IUPACN-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(N)C2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-9-3-6-12(17-10(2)18)7-14(9)21(19,20)16-8-13(15)11-4-5-11/h3,6-7,11,13,16H,4-5,8,15H2,1-2H3,(H,17,18)
InChIKeyJXHRAWDUZKNWNX-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.97
Rot. Bonds6

About N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide

N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 115301298) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID115301298
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(N)C2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-9-3-6-12(17-10(2)18)7-14(9)21(19,20)16-8-13(15)11-4-5-11/h3,6-7,11,13,16H,4-5,8,15H2,1-2H3,(H,17,18)
InChIKeyJXHRAWDUZKNWNX-UHFFFAOYSA-N
XLogP0.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3576110
N-(4-(((2-Phenylethyl)amino)sulfonyl)phenyl)ethanamide
CID 669172
N-[4-(benzylsulfamoyl)phenyl]acetamide
CID 668311
N-(4-(4-Toluidinosulfonyl)phenyl)acetamide
CID 822744
N~2~-[(4-fluorophenyl)sulfonyl]-N~1~-(4-isopropylphenyl)glycinamide
CID 1314399
N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2226534
N-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-chloroacetamide
CID 3406152
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4195515
N-(4-cyanophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)propanamide
CID 4371196

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide (CID 115301298) is N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(N)C2CC2)c1.
What is the InChIKey of N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is JXHRAWDUZKNWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-3-6-12(17-10(2)18)7-14(9)21(19,20)16-8-13(15)11-4-5-11/h3,6-7,11,13,16H,4-5,8,15H2,1-2H3,(H,17,18).
What are the key properties of N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide?
N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 115301298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).