N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide

C16H23N3O2S — CID 78833699

IUPACN-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2sc(NC(=O)C3CC3)cc2C)CC1
InChIInChI=1S/C16H23N3O2S/c1-3-18-6-8-19(9-7-18)16(21)14-11(2)10-13(22-14)17-15(20)12-4-5-12/h10,12H,3-9H2,1-2H3,(H,17,20)
InChIKeyPQUVYOQXMODATB-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.18
Rot. Bonds4

About N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide

N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide (PubChem CID 78833699) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
PubChem CID78833699
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2sc(NC(=O)C3CC3)cc2C)CC1
InChIInChI=1S/C16H23N3O2S/c1-3-18-6-8-19(9-7-18)16(21)14-11(2)10-13(22-14)17-15(20)12-4-5-12/h10,12H,3-9H2,1-2H3,(H,17,20)
InChIKeyPQUVYOQXMODATB-UHFFFAOYSA-N
XLogP2.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 78840221
N-[5-(1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 75373415
N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78856408
N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 26052004
N-[4-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 16961757
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 110886322
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 110887462
N-[4-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 43041317
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide (CID 78833699) is N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide is CCN1CCN(C(=O)c2sc(NC(=O)C3CC3)cc2C)CC1.
What is the InChIKey of N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is PQUVYOQXMODATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-18-6-8-19(9-7-18)16(21)14-11(2)10-13(22-14)17-15(20)12-4-5-12/h10,12H,3-9H2,1-2H3,(H,17,20).
What are the key properties of N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide?
N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 78833699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).