2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide

C22H30N2O3S — CID 132661819

IUPAC2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O3S/c1-17(2)20-12-14-21(15-13-20)24(28(4,26)27)16-22(25)23-18(3)10-11-19-8-6-5-7-9-19/h5-9,12-15,17-18H,10-11,16H2,1-4H3,(H,23,25)
InChIKeySYWGJTWPVDZEAQ-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.71
Rot. Bonds9

About 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide

2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 132661819) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID132661819
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O3S/c1-17(2)20-12-14-21(15-13-20)24(28(4,26)27)16-22(25)23-18(3)10-11-19-8-6-5-7-9-19/h5-9,12-15,17-18H,10-11,16H2,1-4H3,(H,23,25)
InChIKeySYWGJTWPVDZEAQ-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 43895374
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 41066343
N-tert-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132725881
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2271012
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
2-[benzyl-[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195220
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
CID 30168762

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide (CID 132661819) is 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is SYWGJTWPVDZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-17(2)20-12-14-21(15-13-20)24(28(4,26)27)16-22(25)23-18(3)10-11-19-8-6-5-7-9-19/h5-9,12-15,17-18H,10-11,16H2,1-4H3,(H,23,25).
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide?
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 132661819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).