2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

C15H23N3O3S — CID 119739287

IUPAC2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1C
InChIInChI=1S/C15H23N3O3S/c1-3-22(20,21)18-14-7-6-13(8-11(14)2)17-15(19)10-16-9-12-4-5-12/h6-8,12,16,18H,3-5,9-10H2,1-2H3,(H,17,19)
InChIKeyWOAITEJOAIXDQK-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.69
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (PubChem CID 119739287) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
PubChem CID119739287
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1C
InChIInChI=1S/C15H23N3O3S/c1-3-22(20,21)18-14-7-6-13(8-11(14)2)17-15(19)10-16-9-12-4-5-12/h6-8,12,16,18H,3-5,9-10H2,1-2H3,(H,17,19)
InChIKeyWOAITEJOAIXDQK-UHFFFAOYSA-N
XLogP1.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55948833
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
2-(cyclopropylmethylamino)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119797391

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (CID 119739287) is 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1C.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The InChIKey is WOAITEJOAIXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-22(20,21)18-14-7-6-13(8-11(14)2)17-15(19)10-16-9-12-4-5-12/h6-8,12,16,18H,3-5,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is sourced from PubChem (CID 119739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).