N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide

C14H20N2O4S — CID 6462017

IUPACN-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-20-12-6-8-13(9-7-12)21(18,19)16(2)10-14(17)15-11-4-5-11/h6-9,11H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyKJUYBEBRTKIWBI-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.98
Rot. Bonds7

About N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide

N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 6462017) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID6462017
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-20-12-6-8-13(9-7-12)21(18,19)16(2)10-14(17)15-11-4-5-11/h6-9,11H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyKJUYBEBRTKIWBI-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 46829322
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666
N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide
CID 10569469
N-hydroxy-2-[(4-methoxybenzene)(3-methylbutyl)sulfonamido]acetamide
CID 10640178
N-hydroxy-2-{[4-(3-methylbutoxy)benzene](2-methylpropyl)sulfonamido}acetamide
CID 10667012
N-hydroxy-2-[[4-hexyloxybenzenesulfonyl](isobutyl)amino]acetamide
CID 10738924
2-[(4-butoxybenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10784639
Tert-Butyl 4-(4-Sulfamoylphenoxy)butylcarbamate
CID 86692717
4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide
CID 57391082
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide
CID 57392880

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide (CID 6462017) is N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is KJUYBEBRTKIWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-20-12-6-8-13(9-7-12)21(18,19)16(2)10-14(17)15-11-4-5-11/h6-9,11H,3-5,10H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 6462017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).