N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide

C15H23ClN2O4S — CID 113052480

IUPACN-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCCN(CCNS(=O)(=O)c1ccc(OC)c(Cl)c1)C(C)=O
InChIInChI=1S/C15H23ClN2O4S/c1-4-5-9-18(12(2)19)10-8-17-23(20,21)13-6-7-15(22-3)14(16)11-13/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyCEQGSOFQMAJPAP-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.28
Rot. Bonds9

About N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide

N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113052480) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113052480
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC NameN-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCCN(CCNS(=O)(=O)c1ccc(OC)c(Cl)c1)C(C)=O
InChIInChI=1S/C15H23ClN2O4S/c1-4-5-9-18(12(2)19)10-8-17-23(20,21)13-6-7-15(22-3)14(16)11-13/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyCEQGSOFQMAJPAP-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
N-butyl-N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052499
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 113065672
N-[3-(dimethylamino)propyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113053818
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[2-[(4-methoxy-2-methylphenyl)sulfonylamino]ethyl]-N-pentylacetamide
CID 113057022
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide (CID 113052480) is N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide is CCCCN(CCNS(=O)(=O)c1ccc(OC)c(Cl)c1)C(C)=O.
What is the InChIKey of N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is CEQGSOFQMAJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-4-5-9-18(12(2)19)10-8-17-23(20,21)13-6-7-15(22-3)14(16)11-13/h6-7,11,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 362.88 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113052480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).