N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

C18H21ClN2O4S — CID 113155382

IUPACN-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-13(2)25-17-11-7-6-10-16(17)21(26(3,23)24)12-18(22)20-15-9-5-4-8-14(15)19/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyNVICMFFZHZGABQ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.53
Rot. Bonds7

About N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (PubChem CID 113155382) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
PubChem CID113155382
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-13(2)25-17-11-7-6-10-16(17)21(26(3,23)24)12-18(22)20-15-9-5-4-8-14(15)19/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyNVICMFFZHZGABQ-UHFFFAOYSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155378
N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155395
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1203982
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
2-[2-methylpropyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113148565
ethyl 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1120560
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1105251
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (CID 113155382) is N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The InChIKey is NVICMFFZHZGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13(2)25-17-11-7-6-10-16(17)21(26(3,23)24)12-18(22)20-15-9-5-4-8-14(15)19/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide has a molecular weight of 396.90 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 113155382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).