2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C14H21N3O3S — CID 60867627

IUPAC2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(2)21(19,20)13-7-5-12(6-8-13)16-14(18)10-15-9-11-3-4-11/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyLDOCDQYMQRYXET-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.88
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 60867627) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID60867627
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(2)21(19,20)13-7-5-12(6-8-13)16-14(18)10-15-9-11-3-4-11/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyLDOCDQYMQRYXET-UHFFFAOYSA-N
XLogP0.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106125831
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
CID 119701886
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 60867627) is 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is LDOCDQYMQRYXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(2)21(19,20)13-7-5-12(6-8-13)16-14(18)10-15-9-11-3-4-11/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 60867627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).