N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide

C23H29N3O4S — CID 46407162

IUPACN-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-16(2)22(27)24-20-8-6-19(7-9-20)23(28)25-11-13-26(14-12-25)31(29,30)21-10-5-17(3)15-18(21)4/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)
InChIKeySGGSAQQXDLJVOX-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.04
Rot. Bonds5

About N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide

N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide (PubChem CID 46407162) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide
PubChem CID46407162
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-16(2)22(27)24-20-8-6-19(7-9-20)23(28)25-11-13-26(14-12-25)31(29,30)21-10-5-17(3)15-18(21)4/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)
InChIKeySGGSAQQXDLJVOX-UHFFFAOYSA-N
XLogP3.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2368604
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide
CID 55605200
2,3-dihydro-1H-inden-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9011607
4-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696343
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide
CID 2407586
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
(4-aminophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678550
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 27231517
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 17470269
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide (CID 46407162) is N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)c(C)c1.
What is the InChIKey of N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide?
The InChIKey is SGGSAQQXDLJVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16(2)22(27)24-20-8-6-19(7-9-20)23(28)25-11-13-26(14-12-25)31(29,30)21-10-5-17(3)15-18(21)4/h5-10,15-16H,11-14H2,1-4H3,(H,24,27).
What are the key properties of N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide?
N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide has a molecular weight of 443.57 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 46407162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).