2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide

C18H27ClN2O4S — CID 3875641

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H27ClN2O4S/c1-3-11-20-18(22)13-21(14-7-5-4-6-8-14)26(23,24)15-9-10-17(25-2)16(19)12-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,20,22)
InChIKeyKHZYFRRVIJPUJA-UHFFFAOYSA-N
MW402.94 g/mol
LogP3.20
Rot. Bonds8

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide (PubChem CID 3875641) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
PubChem CID3875641
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H27ClN2O4S/c1-3-11-20-18(22)13-21(14-7-5-4-6-8-14)26(23,24)15-9-10-17(25-2)16(19)12-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,20,22)
InChIKeyKHZYFRRVIJPUJA-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797119
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100796300
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4025829
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 3971662
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044
N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 100797109
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401454
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818
2-[4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetyl]amino]phenyl]acetamide
CID 100796330
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861484

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide (CID 3875641) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide is CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
The InChIKey is KHZYFRRVIJPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4S/c1-3-11-20-18(22)13-21(14-7-5-4-6-8-14)26(23,24)15-9-10-17(25-2)16(19)12-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide has a molecular weight of 402.94 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide is sourced from PubChem (CID 3875641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).