(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C21H28N2O4S — CID 2207210

IUPAC(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-6-7-17-8-10-18(11-9-17)22-21(24)16(2)23(28(4,25)26)19-12-14-20(27-3)15-13-19/h8-16H,5-7H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyVTLBLFZXELAPRO-MRXNPFEDSA-N
MW404.53 g/mol
LogP3.83
Rot. Bonds9

About (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 2207210) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID2207210
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-6-7-17-8-10-18(11-9-17)22-21(24)16(2)23(28(4,25)26)19-12-14-20(27-3)15-13-19/h8-16H,5-7H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyVTLBLFZXELAPRO-MRXNPFEDSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132663587
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 132662307
(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201
2-(4-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 132656595
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
(2R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94864617
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
N-(4-butylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132666078
2-(4-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 43882438

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 2207210) is (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is VTLBLFZXELAPRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-6-7-17-8-10-18(11-9-17)22-21(24)16(2)23(28(4,25)26)19-12-14-20(27-3)15-13-19/h8-16H,5-7H2,1-4H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2207210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).