(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide

C14H21ClN2O3S — CID 126415319

IUPAC(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-5-10-16-14(18)11(2)17(21(3,19)20)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyBPRFRPAQCNCOJZ-LLVKDONJSA-N
MW332.85 g/mol
LogP2.41
Rot. Bonds7

About (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide

(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 126415319) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
PubChem CID126415319
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-5-10-16-14(18)11(2)17(21(3,19)20)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyBPRFRPAQCNCOJZ-LLVKDONJSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
CID 126414989
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 42587370
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100564819
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 126413449
2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
CID 133185523
2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 50944624
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide (CID 126415319) is (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide is CCCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is BPRFRPAQCNCOJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-5-10-16-14(18)11(2)17(21(3,19)20)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126415319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).