N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide

C14H21N3O5S2 — CID 113152507

IUPACN-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)NC1CC1
InChIInChI=1S/C14H21N3O5S2/c1-23(19,20)17(10-14(18)16-12-4-5-12)9-8-11-2-6-13(7-3-11)24(15,21)22/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,18)(H2,15,21,22)
InChIKeyUJUYYLBJEKTSIA-UHFFFAOYSA-N
MW375.47 g/mol
LogP-0.58
Rot. Bonds8

About N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide

N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide (PubChem CID 113152507) has the molecular formula C14H21N3O5S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
PubChem CID113152507
Molecular FormulaC14H21N3O5S2
Molecular Weight375.47 g/mol
Exact Mass375.09
IUPAC NameN-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)NC1CC1
InChIInChI=1S/C14H21N3O5S2/c1-23(19,20)17(10-14(18)16-12-4-5-12)9-8-11-2-6-13(7-3-11)24(15,21)22/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,18)(H2,15,21,22)
InChIKeyUJUYYLBJEKTSIA-UHFFFAOYSA-N
XLogP-0.58
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
CID 113152544
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152518
N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152523
2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113148292
1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
CID 113067880
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113151341
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967123
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide (CID 113152507) is N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide is CS(=O)(=O)N(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The InChIKey is UJUYYLBJEKTSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S2/c1-23(19,20)17(10-14(18)16-12-4-5-12)9-8-11-2-6-13(7-3-11)24(15,21)22/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,18)(H2,15,21,22).
What are the key properties of N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide?
N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide has a molecular weight of 375.47 g/mol, XLogP of -0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 113152507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).