N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide

C23H23N3O4S2 — CID 55522105

IUPACN-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C23H23N3O4S2/c27-22(19-10-15-31-16-19)24-21-9-5-4-8-20(21)23(28)25-11-13-26(14-12-25)32(29,30)17-18-6-2-1-3-7-18/h1-10,15-16H,11-14,17H2,(H,24,27)
InChIKeyLZAYYNVIKZMJBL-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide

N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide (PubChem CID 55522105) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
PubChem CID55522105
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C23H23N3O4S2/c27-22(19-10-15-31-16-19)24-21-9-5-4-8-20(21)23(28)25-11-13-26(14-12-25)32(29,30)17-18-6-2-1-3-7-18/h1-10,15-16H,11-14,17H2,(H,24,27)
InChIKeyLZAYYNVIKZMJBL-UHFFFAOYSA-N
XLogP3.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
(2-aminophenyl)-(4-benzylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119943877
N-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55678932
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
N-[2-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55982546
N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 32647585
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 46763665
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110805281
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 38097553

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide (CID 55522105) is N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccsc1.
What is the InChIKey of N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The InChIKey is LZAYYNVIKZMJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c27-22(19-10-15-31-16-19)24-21-9-5-4-8-20(21)23(28)25-11-13-26(14-12-25)32(29,30)17-18-6-2-1-3-7-18/h1-10,15-16H,11-14,17H2,(H,24,27).
What are the key properties of N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55522105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).