N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide

C22H29N3O4S — CID 30938051

IUPACN-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-15-14-16(2)18(4)21(17(15)3)30(27,28)25-12-10-24(11-13-25)22(26)23-19-6-8-20(29-5)9-7-19/h6-9,14H,10-13H2,1-5H3,(H,23,26)
InChIKeyGYDUMIXKWPKCAX-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.47
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide

N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 30938051) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID30938051
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-15-14-16(2)18(4)21(17(15)3)30(27,28)25-12-10-24(11-13-25)22(26)23-19-6-8-20(29-5)9-7-19/h6-9,14H,10-13H2,1-5H3,(H,23,26)
InChIKeyGYDUMIXKWPKCAX-UHFFFAOYSA-N
XLogP3.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46457488
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
1-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 1288689
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3688554
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide (CID 30938051) is N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is GYDUMIXKWPKCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15-14-16(2)18(4)21(17(15)3)30(27,28)25-12-10-24(11-13-25)22(26)23-19-6-8-20(29-5)9-7-19/h6-9,14H,10-13H2,1-5H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 30938051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).