N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide

C17H19ClN2O3S — CID 1203987

IUPACN-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-19(12-14-7-4-3-5-8-14)17(21)13-20(24(2,22)23)16-10-6-9-15(18)11-16/h3-11H,12-13H2,1-2H3
InChIKeyVZYXCKCDQKCHOF-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.76
Rot. Bonds6

About N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide

N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 1203987) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID1203987
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-19(12-14-7-4-3-5-8-14)17(21)13-20(24(2,22)23)16-10-6-9-15(18)11-16/h3-11H,12-13H2,1-2H3
InChIKeyVZYXCKCDQKCHOF-UHFFFAOYSA-N
XLogP2.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
N-benzyl-2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide
CID 1095173
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
N-benzyl-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1098087
(2R)-2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100641635
N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 30168992
2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195222
2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152507
(2R)-2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100581334
2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-butan-2-ylbutanamide
CID 132945655

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide (CID 1203987) is N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is VZYXCKCDQKCHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-19(12-14-7-4-3-5-8-14)17(21)13-20(24(2,22)23)16-10-6-9-15(18)11-16/h3-11H,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide?
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 366.87 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 1203987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).