(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

C17H20ClN3O4S — CID 40690950

IUPAC(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C17H20ClN3O4S/c1-12(17(22)20-11-13-5-4-8-19-10-13)21(26(3,23)24)15-9-14(18)6-7-16(15)25-2/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyUMTYBMAGUKRXKN-LBPRGKRZSA-N
MW397.88 g/mol
LogP2.21
Rot. Bonds7

About (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 40690950) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID40690950
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C17H20ClN3O4S/c1-12(17(22)20-11-13-5-4-8-19-10-13)21(26(3,23)24)15-9-14(18)6-7-16(15)25-2/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyUMTYBMAGUKRXKN-LBPRGKRZSA-N
XLogP2.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 92646323
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53281583
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 53281553
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 53281524
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561296
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132659229
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 2979813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 40690950) is (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccnc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is UMTYBMAGUKRXKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-12(17(22)20-11-13-5-4-8-19-10-13)21(26(3,23)24)15-9-14(18)6-7-16(15)25-2/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 397.88 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 40690950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).