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

C15H23N3O4S — CID 119739337

IUPAC2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1OC
InChIInChI=1S/C15H23N3O4S/c1-3-23(20,21)18-13-7-6-12(8-14(13)22-2)17-15(19)10-16-9-11-4-5-11/h6-8,11,16,18H,3-5,9-10H2,1-2H3,(H,17,19)
InChIKeyIENXAGZIBWTJJN-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.39
Rot. Bonds9

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

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide (PubChem CID 119739337) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
PubChem CID119739337
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1OC
InChIInChI=1S/C15H23N3O4S/c1-3-23(20,21)18-13-7-6-12(8-14(13)22-2)17-15(19)10-16-9-11-4-5-11/h6-8,11,16,18H,3-5,9-10H2,1-2H3,(H,17,19)
InChIKeyIENXAGZIBWTJJN-UHFFFAOYSA-N
XLogP1.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55955115
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119717528
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(3-fluorophenyl)acetamide
CID 55947951
1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea
CID 48761938
(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
CID 97456217
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide (CID 119739337) is 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1OC.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide?
The InChIKey is IENXAGZIBWTJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-23(20,21)18-13-7-6-12(8-14(13)22-2)17-15(19)10-16-9-11-4-5-11/h6-8,11,16,18H,3-5,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide is sourced from PubChem (CID 119739337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).