2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide

C21H26N2O4S — CID 7919004

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(24)16-6-12-19(13-7-16)28(26,27)23(5)14-20(25)22-18-10-8-17(9-11-18)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,25)
InChIKeyLPNLVMBCAWLBKF-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide (PubChem CID 7919004) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
PubChem CID7919004
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(24)16-6-12-19(13-7-16)28(26,27)23(5)14-20(25)22-18-10-8-17(9-11-18)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,25)
InChIKeyLPNLVMBCAWLBKF-UHFFFAOYSA-N
XLogP3.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
tert-butyl N-[5-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-2-methoxyphenyl]carbamate
CID 55654571
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 43052185
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 43046652
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide (CID 7919004) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide?
The InChIKey is LPNLVMBCAWLBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15(24)16-6-12-19(13-7-16)28(26,27)23(5)14-20(25)22-18-10-8-17(9-11-18)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,25).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 7919004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).