N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C22H30N2O3S — CID 30274932

IUPACN-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N2O3S/c1-7-20(19-10-8-15(2)9-11-19)23-21(25)14-24(28(6,26)27)22-17(4)12-16(3)13-18(22)5/h8-13,20H,7,14H2,1-6H3,(H,23,25)/t20-/m0/s1
InChIKeyYCRAXJWWNHTEJY-FQEVSTJZSA-N
MW402.56 g/mol
LogP3.95
Rot. Bonds7

About N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30274932) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30274932
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N2O3S/c1-7-20(19-10-8-15(2)9-11-19)23-21(25)14-24(28(6,26)27)22-17(4)12-16(3)13-18(22)5/h8-13,20H,7,14H2,1-6H3,(H,23,25)/t20-/m0/s1
InChIKeyYCRAXJWWNHTEJY-FQEVSTJZSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43896154
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764303
2-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94013151
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 30306136
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94012819
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28573016
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 125072566

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30274932) is N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is CC[C@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is YCRAXJWWNHTEJY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-7-20(19-10-8-15(2)9-11-19)23-21(25)14-24(28(6,26)27)22-17(4)12-16(3)13-18(22)5/h8-13,20H,7,14H2,1-6H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30274932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).