N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

C26H31N3O3S — CID 2577985

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-21-14-16-24(17-15-21)33(31,32)29(23-12-8-5-9-13-23)19-18-26(30)27-20-25(28(2)3)22-10-6-4-7-11-22/h4-17,25H,18-20H2,1-3H3,(H,27,30)/t25-/m1/s1
InChIKeyLEIARAFEQIUUQY-RUZDIDTESA-N
MW465.62 g/mol
LogP4.00
Rot. Bonds10

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide (PubChem CID 2577985) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
PubChem CID2577985
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-21-14-16-24(17-15-21)33(31,32)29(23-12-8-5-9-13-23)19-18-26(30)27-20-25(28(2)3)22-10-6-4-7-11-22/h4-17,25H,18-20H2,1-3H3,(H,27,30)/t25-/m1/s1
InChIKeyLEIARAFEQIUUQY-RUZDIDTESA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-[(1R)-2-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]-1-phenylethyl]azanium
CID 2577978
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(methylamino)propyl]propanamide
CID 120827257
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929
3-[4-(diethylsulfamoyl)phenyl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 32732309
2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119225111
(2R)-2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119243865
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 119523871
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508722
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide (CID 2577985) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide is Cc1ccc(S(=O)(=O)N(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The InChIKey is LEIARAFEQIUUQY-RUZDIDTESA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-21-14-16-24(17-15-21)33(31,32)29(23-12-8-5-9-13-23)19-18-26(30)27-20-25(28(2)3)22-10-6-4-7-11-22/h4-17,25H,18-20H2,1-3H3,(H,27,30)/t25-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide has a molecular weight of 465.62 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide is sourced from PubChem (CID 2577985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).