(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide

C15H17ClN2O4S — CID 41032121

IUPAC(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H17ClN2O4S/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/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyKLNGLYSYQAHWKM-LLVKDONJSA-N
MW356.83 g/mol
LogP2.40
Rot. Bonds6

About (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide

(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 41032121) has the molecular formula C15H17ClN2O4S and a molecular weight of 356.83 g/mol. Its IUPAC name is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID41032121
Molecular FormulaC15H17ClN2O4S
Molecular Weight356.83 g/mol
Exact Mass356.06
IUPAC Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H17ClN2O4S/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/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyKLNGLYSYQAHWKM-LLVKDONJSA-N
XLogP2.40
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 6490149
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoate
CID 7393700
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991497
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220477
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
CID 7393668
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide (CID 41032121) is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide is C[C@H](C(=O)NCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KLNGLYSYQAHWKM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN2O4S/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/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 356.83 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 41032121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).