N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

C22H21N3O4S2 — CID 4921124

IUPACN-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1)c1cccs1
InChIInChI=1S/C22H21N3O4S2/c26-21(20-10-5-15-30-20)23-18-8-4-9-19(16-18)31(28,29)25-13-11-24(12-14-25)22(27)17-6-2-1-3-7-17/h1-10,15-16H,11-14H2,(H,23,26)
InChIKeyMDBUCBMPPNASLO-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.15
Rot. Bonds5

About N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (PubChem CID 4921124) has the molecular formula C22H21N3O4S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
PubChem CID4921124
Molecular FormulaC22H21N3O4S2
Molecular Weight455.56 g/mol
Exact Mass455.10
IUPAC NameN-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1)c1cccs1
InChIInChI=1S/C22H21N3O4S2/c26-21(20-10-5-15-30-20)23-18-8-4-9-19(16-18)31(28,29)25-13-11-24(12-14-25)22(27)17-6-2-1-3-7-17/h1-10,15-16H,11-14H2,(H,23,26)
InChIKeyMDBUCBMPPNASLO-UHFFFAOYSA-N
XLogP3.15
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 30711252
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 27231517
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 110352511
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
N-[3-[(4-benzoylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44529879
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
thiophen-2-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 2441230

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (CID 4921124) is N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1)c1cccs1.
What is the InChIKey of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The InChIKey is MDBUCBMPPNASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S2/c26-21(20-10-5-15-30-20)23-18-8-4-9-19(16-18)31(28,29)25-13-11-24(12-14-25)22(27)17-6-2-1-3-7-17/h1-10,15-16H,11-14H2,(H,23,26).
What are the key properties of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4921124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).