N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

C14H20N2O3S — CID 8816801

IUPACN-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(2)13(8-10)20(18,19)16(3)9-14(17)15-12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyHLEVWASCFCEYDQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.20
Rot. Bonds5

About N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 8816801) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID8816801
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(2)13(8-10)20(18,19)16(3)9-14(17)15-12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyHLEVWASCFCEYDQ-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100780938
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
N-cyclopropyl-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24776179
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100780815
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(5-amino-2,4-difluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575899

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 8816801) is N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is HLEVWASCFCEYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-4-5-11(2)13(8-10)20(18,19)16(3)9-14(17)15-12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 8816801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).