2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide

C18H21ClN2O4S — CID 100677066

IUPAC2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-12(14-7-5-6-8-17(14)25-3)20-18(22)15-11-13(9-10-16(15)19)21(2)26(4,23)24/h5-12H,1-4H3,(H,20,22)/t12-/m0/s1
InChIKeyFBBNLTASHSGXOW-LBPRGKRZSA-N
MW396.90 g/mol
LogP3.24
Rot. Bonds6

About 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide

2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 100677066) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
PubChem CID100677066
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-12(14-7-5-6-8-17(14)25-3)20-18(22)15-11-13(9-10-16(15)19)21(2)26(4,23)24/h5-12H,1-4H3,(H,20,22)/t12-/m0/s1
InChIKeyFBBNLTASHSGXOW-LBPRGKRZSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-nitrobenzamide
CID 26882969
(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125064221
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160162
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390777
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133161124
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133235695
2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132660080
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100540514
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide (CID 100677066) is 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide is COc1ccccc1[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is FBBNLTASHSGXOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12(14-7-5-6-8-17(14)25-3)20-18(22)15-11-13(9-10-16(15)19)21(2)26(4,23)24/h5-12H,1-4H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide?
2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 100677066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).