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

C18H21ClN2O3S — CID 43020569

IUPACN-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-3-20(13-15-8-5-4-6-9-15)18(22)14-21(25(2,23)24)17-11-7-10-16(19)12-17/h4-12H,3,13-14H2,1-2H3
InChIKeyCDKHKXAXXCKAAV-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.15
Rot. Bonds7

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

N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide (PubChem CID 43020569) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
PubChem CID43020569
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-3-20(13-15-8-5-4-6-9-15)18(22)14-21(25(2,23)24)17-11-7-10-16(19)12-17/h4-12H,3,13-14H2,1-2H3
InChIKeyCDKHKXAXXCKAAV-UHFFFAOYSA-N
XLogP3.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
CID 113157686
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
CID 113153950
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
(2R)-2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100641635
(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-butyl-3-phenylpropanamide
CID 133152507
2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-butan-2-ylbutanamide
CID 132945655
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195222
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide (CID 43020569) is N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
The InChIKey is CDKHKXAXXCKAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-20(13-15-8-5-4-6-9-15)18(22)14-21(25(2,23)24)17-11-7-10-16(19)12-17/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide has a molecular weight of 380.90 g/mol, XLogP of 3.15, 7 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-ethylacetamide is sourced from PubChem (CID 43020569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).