N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide

C16H19N3O3S — CID 39161723

IUPACN-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C16H19N3O3S/c1-10-11(2)23-15(18-14(20)12-4-3-9-22-12)13(10)16(21)19-7-5-17-6-8-19/h3-4,9,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyXSZJDKSUEAEZJH-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.26
Rot. Bonds3

About N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 39161723) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID39161723
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C16H19N3O3S/c1-10-11(2)23-15(18-14(20)12-4-3-9-22-12)13(10)16(21)19-7-5-17-6-8-19/h3-4,9,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyXSZJDKSUEAEZJH-UHFFFAOYSA-N
XLogP2.26
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 39161677
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1206485
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 2077563
2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 45361885
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119446697
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5158593
ethyl 2-(furan-2-carbonylamino)-4-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]thiophene-3-carboxylate
CID 170861139
N-[3-(azepane-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 4087834
N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 2898942

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide (CID 39161723) is N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide is Cc1sc(NC(=O)c2ccco2)c(C(=O)N2CCNCC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is XSZJDKSUEAEZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-11(2)23-15(18-14(20)12-4-3-9-22-12)13(10)16(21)19-7-5-17-6-8-19/h3-4,9,17H,5-8H2,1-2H3,(H,18,20).
What are the key properties of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 39161723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).