N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride

C19H32ClN3O4S — CID 18571712

IUPACN-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CC(C)(C)C)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-19(2,3)15-18(23)20-9-10-21-11-13-22(14-12-21)27(24,25)17-7-5-16(26-4)6-8-17;/h5-8H,9-15H2,1-4H3,(H,20,23);1H
InChIKeyQFPDXLHGEXBAHM-UHFFFAOYSA-N
MW434.00 g/mol
LogP1.98
Rot. Bonds7

About N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride

N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 18571712) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID18571712
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC NameN-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CC(C)(C)C)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-19(2,3)15-18(23)20-9-10-21-11-13-22(14-12-21)27(24,25)17-7-5-16(26-4)6-8-17;/h5-8H,9-15H2,1-4H3,(H,20,23);1H
InChIKeyQFPDXLHGEXBAHM-UHFFFAOYSA-N
XLogP1.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 29195731
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 18571768
3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571748
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 18571746
2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 8687525
2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 16826979
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride (CID 18571712) is N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride is COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CC(C)(C)C)CC2)cc1.Cl.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is QFPDXLHGEXBAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-19(2,3)15-18(23)20-9-10-21-11-13-22(14-12-21)27(24,25)17-7-5-16(26-4)6-8-17;/h5-8H,9-15H2,1-4H3,(H,20,23);1H.
What are the key properties of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride?
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 18571712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).