N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

C17H22N4O3S — CID 119446697

IUPACN-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C17H22N4O3S/c1-12-11-14(20-16(22)13-3-2-10-24-13)25-15(12)17(23)19-6-9-21-7-4-18-5-8-21/h2-3,10-11,18H,4-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyXGTZJKQWLRMYEB-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.54
Rot. Bonds6

About N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 119446697) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID119446697
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C17H22N4O3S/c1-12-11-14(20-16(22)13-3-2-10-24-13)25-15(12)17(23)19-6-9-21-7-4-18-5-8-21/h2-3,10-11,18H,4-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyXGTZJKQWLRMYEB-UHFFFAOYSA-N
XLogP1.54
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[4-methyl-5-(pyrrolidin-2-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119511877
N-[4-methyl-5-[methyl(piperidin-4-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119442590
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271
N-[5-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 26011625

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (CID 119446697) is N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCN1CCNCC1.
What is the InChIKey of N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is XGTZJKQWLRMYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-11-14(20-16(22)13-3-2-10-24-13)25-15(12)17(23)19-6-9-21-7-4-18-5-8-21/h2-3,10-11,18H,4-9H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119446697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).