4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide

C21H27N3O4S — CID 171907305

IUPAC4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)N(C)C)CC3)cc2C)cc1
InChIInChI=1S/C21H27N3O4S/c1-16-15-19(9-10-20(16)17-5-7-18(28-4)8-6-17)29(26,27)24-13-11-23(12-14-24)21(25)22(2)3/h5-10,15H,11-14H2,1-4H3
InChIKeyNDHYUGBZEGSIKH-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.66
Rot. Bonds4

About 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide

4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 171907305) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide
PubChem CID171907305
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)N(C)C)CC3)cc2C)cc1
InChIInChI=1S/C21H27N3O4S/c1-16-15-19(9-10-20(16)17-5-7-18(28-4)8-6-17)29(26,27)24-13-11-23(12-14-24)21(25)22(2)3/h5-10,15H,11-14H2,1-4H3
InChIKeyNDHYUGBZEGSIKH-UHFFFAOYSA-N
XLogP2.66
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46457488
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 8924595
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
N,N-dimethyl-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide
CID 2945969
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one
CID 9496484

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide (CID 171907305) is 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide is COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)N(C)C)CC3)cc2C)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is NDHYUGBZEGSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-15-19(9-10-20(16)17-5-7-18(28-4)8-6-17)29(26,27)24-13-11-23(12-14-24)21(25)22(2)3/h5-10,15H,11-14H2,1-4H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 171907305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).