N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C26H31N3O4S — CID 41179929

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@H](c3ccccc3)N(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O4S/c1-20-10-16-24(17-11-20)34(31,32)29(4)22-12-14-23(15-13-22)33-19-26(30)27-18-25(28(2)3)21-8-6-5-7-9-21/h5-17,25H,18-19H2,1-4H3,(H,27,30)/t25-/m1/s1
InChIKeyRPJVCNXBPIBUSD-RUZDIDTESA-N
MW481.62 g/mol
LogP3.62
Rot. Bonds10

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 41179929) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID41179929
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@H](c3ccccc3)N(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O4S/c1-20-10-16-24(17-11-20)34(31,32)29(4)22-12-14-23(15-13-22)33-19-26(30)27-18-25(28(2)3)21-8-6-5-7-9-21/h5-17,25H,18-19H2,1-4H3,(H,27,30)/t25-/m1/s1
InChIKeyRPJVCNXBPIBUSD-RUZDIDTESA-N
XLogP3.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 32743662
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
CID 17247085
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 45001670
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2577985
N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
CID 24542946
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 41179929) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@H](c3ccccc3)N(C)C)cc2)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is RPJVCNXBPIBUSD-RUZDIDTESA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-20-10-16-24(17-11-20)34(31,32)29(4)22-12-14-23(15-13-22)33-19-26(30)27-18-25(28(2)3)21-8-6-5-7-9-21/h5-17,25H,18-19H2,1-4H3,(H,27,30)/t25-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 481.62 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 41179929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).