N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

C20H25N3O4S — CID 6467053

IUPACN-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-3-16-6-4-5-7-19(16)21-20(24)22-12-14-23(15-13-22)28(25,26)18-10-8-17(27-2)9-11-18/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyWIVDOOSKDYWCFM-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.80
Rot. Bonds5

About N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 6467053) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID6467053
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-3-16-6-4-5-7-19(16)21-20(24)22-12-14-23(15-13-22)28(25,26)18-10-8-17(27-2)9-11-18/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyWIVDOOSKDYWCFM-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 20966680
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 41168914
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate
CID 56997557
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
N-(4-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide
CID 8659962
4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46457488
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3674696

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 6467053) is N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is WIVDOOSKDYWCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-16-6-4-5-7-19(16)21-20(24)22-12-14-23(15-13-22)28(25,26)18-10-8-17(27-2)9-11-18/h4-11H,3,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 6467053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).