N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C24H26N4O4S2 — CID 55375941

IUPACN-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O4S2/c1-2-27-13-15-28(16-14-27)34(31,32)21-11-9-20(10-12-21)25-23(29)18-5-7-19(8-6-18)26-24(30)22-4-3-17-33-22/h3-12,17H,2,13-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyBCGOLTWZNYHAMW-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.58
Rot. Bonds7

About N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55375941) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55375941
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC NameN-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O4S2/c1-2-27-13-15-28(16-14-27)34(31,32)21-11-9-20(10-12-21)25-23(29)18-5-7-19(8-6-18)26-24(30)22-4-3-17-33-22/h3-12,17H,2,13-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyBCGOLTWZNYHAMW-UHFFFAOYSA-N
XLogP3.58
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide
CID 109060427
N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55509586
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835
N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9205772
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(chloromethyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 169172264

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 55375941) is N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is BCGOLTWZNYHAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-2-27-13-15-28(16-14-27)34(31,32)21-11-9-20(10-12-21)25-23(29)18-5-7-19(8-6-18)26-24(30)22-4-3-17-33-22/h3-12,17H,2,13-16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55375941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).