N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C14H17N3O3S — CID 119501782

IUPACN-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCNCCNC(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C14H17N3O3S/c1-9-8-11(17-13(18)10-4-3-7-20-10)21-12(9)14(19)16-6-5-15-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyROVPFVCUGSHRID-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.85
Rot. Bonds6

About N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 119501782) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID119501782
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCNCCNC(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C14H17N3O3S/c1-9-8-11(17-13(18)10-4-3-7-20-10)21-12(9)14(19)16-6-5-15-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyROVPFVCUGSHRID-UHFFFAOYSA-N
XLogP1.85
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[5-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 26011625
N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119446697
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55588228
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47864283
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 119501782) is N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CNCCNC(=O)c1sc(NC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ROVPFVCUGSHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-8-11(17-13(18)10-4-3-7-20-10)21-12(9)14(19)16-6-5-15-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119501782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).