2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide

C25H28N2O4S — CID 30306621

IUPAC2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-24(20-9-6-5-7-10-20)26-25(28)18-27(21-11-8-12-22(17-21)31-3)32(29,30)23-15-13-19(2)14-16-23/h5-17,24H,4,18H2,1-3H3,(H,26,28)/t24-/m0/s1
InChIKeySECXQAWXYXALFP-DEOSSOPVSA-N
MW452.58 g/mol
LogP4.47
Rot. Bonds9

About 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide

2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 30306621) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID30306621
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-24(20-9-6-5-7-10-20)26-25(28)18-27(21-11-8-12-22(17-21)31-3)32(29,30)23-15-13-19(2)14-16-23/h5-17,24H,4,18H2,1-3H3,(H,26,28)/t24-/m0/s1
InChIKeySECXQAWXYXALFP-DEOSSOPVSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30306626
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 28567224
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133210176
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902361
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92678299
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide (CID 30306621) is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is SECXQAWXYXALFP-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-24(20-9-6-5-7-10-20)26-25(28)18-27(21-11-8-12-22(17-21)31-3)32(29,30)23-15-13-19(2)14-16-23/h5-17,24H,4,18H2,1-3H3,(H,26,28)/t24-/m0/s1.
What are the key properties of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 30306621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).