N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide

C14H21N3O3S — CID 115307942

IUPACN-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10(18)16-12-5-7-13(8-6-12)21(19,20)17-14(2,9-15)11-3-4-11/h5-8,11,17H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyNETAWSSUSTXMBQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.05
Rot. Bonds6

About N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 115307942) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID115307942
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10(18)16-12-5-7-13(8-6-12)21(19,20)17-14(2,9-15)11-3-4-11/h5-8,11,17H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyNETAWSSUSTXMBQ-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
CID 119574894
N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
CID 106165353
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-sulfonamide;hydrochloride
CID 119981675
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
CID 61120241
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 119981759
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide (CID 115307942) is N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(C)(CN)C2CC2)cc1.
What is the InChIKey of N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is NETAWSSUSTXMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(18)16-12-5-7-13(8-6-12)21(19,20)17-14(2,9-15)11-3-4-11/h5-8,11,17H,3-4,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 115307942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).