(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C15H21ClN2O4S — CID 8991497

IUPAC(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H21ClN2O4S/c1-11(15(19)17-10-14-7-4-8-22-14)18(23(2,20)21)13-6-3-5-12(16)9-13/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)/t11-,14-/m0/s1
InChIKeyNWEJAQOOFORWCZ-FZMZJTMJSA-N
MW360.86 g/mol
LogP1.79
Rot. Bonds6

About (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 8991497) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID8991497
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H21ClN2O4S/c1-11(15(19)17-10-14-7-4-8-22-14)18(23(2,20)21)13-6-3-5-12(16)9-13/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)/t11-,14-/m0/s1
InChIKeyNWEJAQOOFORWCZ-FZMZJTMJSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991586
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7473261
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124720005
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-[[(2R)-2-(3-chloro-N-methylsulfonylanilino)butanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93267372
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2R)-2-(N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 51711069
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
2-[[(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 124812011
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 8991497) is (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is NWEJAQOOFORWCZ-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-11(15(19)17-10-14-7-4-8-22-14)18(23(2,20)21)13-6-3-5-12(16)9-13/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 360.86 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 8991497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).