N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C22H24N4O5S2 — CID 55509586

IUPACN-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)cc2)CC1
InChIInChI=1S/C22H24N4O5S2/c1-2-25-11-13-26(14-12-25)33(29,30)17-7-5-16(6-8-17)23-22(28)19-9-10-20(32-19)24-21(27)18-4-3-15-31-18/h3-10,15H,2,11-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyJBFMHPOTFDJTMY-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.17
Rot. Bonds7

About N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55509586) has the molecular formula C22H24N4O5S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55509586
Molecular FormulaC22H24N4O5S2
Molecular Weight488.59 g/mol
Exact Mass488.12
IUPAC NameN-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)cc2)CC1
InChIInChI=1S/C22H24N4O5S2/c1-2-25-11-13-26(14-12-25)33(29,30)17-7-5-16(6-8-17)23-22(28)19-9-10-20(32-19)24-21(27)18-4-3-15-31-18/h3-10,15H,2,11-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyJBFMHPOTFDJTMY-UHFFFAOYSA-N
XLogP3.17
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31315172
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 17488532
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55375869
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89238145
N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide
CID 2329057
N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 49070793

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55509586) is N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)cc2)CC1.
What is the InChIKey of N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is JBFMHPOTFDJTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S2/c1-2-25-11-13-26(14-12-25)33(29,30)17-7-5-16(6-8-17)23-22(28)19-9-10-20(32-19)24-21(27)18-4-3-15-31-18/h3-10,15H,2,11-14H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55509586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).