(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide

C18H23N3O4S — CID 95118832

IUPAC(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC[C@@H](C(=O)NCc1ccccn1)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O4S/c1-4-17(18(22)20-13-14-8-5-6-11-19-14)21(26(3,23)24)15-9-7-10-16(12-15)25-2/h5-12,17H,4,13H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyPCGABEOWPDBMKI-KRWDZBQOSA-N
MW377.47 g/mol
LogP1.95
Rot. Bonds8

About (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide

(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 95118832) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID95118832
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC[C@@H](C(=O)NCc1ccccn1)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O4S/c1-4-17(18(22)20-13-14-8-5-6-11-19-14)21(26(3,23)24)15-9-7-10-16(12-15)25-2/h5-12,17H,4,13H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyPCGABEOWPDBMKI-KRWDZBQOSA-N
XLogP1.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118543
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118542
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
CID 132670026
N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132672273
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597
N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133234955
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide
CID 132673104
N-[3-(4-fluorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132666868
N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132669279
N-[1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132663188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide (CID 95118832) is (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide is CC[C@@H](C(=O)NCc1ccccn1)N(c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is PCGABEOWPDBMKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-17(18(22)20-13-14-8-5-6-11-19-14)21(26(3,23)24)15-9-7-10-16(12-15)25-2/h5-12,17H,4,13H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide?
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 377.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 95118832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).