N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

C17H24N4O3S — CID 78840221

IUPACN-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCNC(=O)CN1CCN(C(=O)c2sc(NC(=O)C3CC3)cc2C)CC1
InChIInChI=1S/C17H24N4O3S/c1-11-9-14(19-16(23)12-3-4-12)25-15(11)17(24)21-7-5-20(6-8-21)10-13(22)18-2/h9,12H,3-8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyUSRAMRKAXRLRBP-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.91
Rot. Bonds5

About N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 78840221) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID78840221
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCNC(=O)CN1CCN(C(=O)c2sc(NC(=O)C3CC3)cc2C)CC1
InChIInChI=1S/C17H24N4O3S/c1-11-9-14(19-16(23)12-3-4-12)25-15(11)17(24)21-7-5-20(6-8-21)10-13(22)18-2/h9,12H,3-8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyUSRAMRKAXRLRBP-UHFFFAOYSA-N
XLogP0.91
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699
N-[5-(1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 75373415
N-[4-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 16961757
N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 26052004
N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78856408
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
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-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 110886322
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
CID 47158600
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 78840221) is N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is CNC(=O)CN1CCN(C(=O)c2sc(NC(=O)C3CC3)cc2C)CC1.
What is the InChIKey of N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is USRAMRKAXRLRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-11-9-14(19-16(23)12-3-4-12)25-15(11)17(24)21-7-5-20(6-8-21)10-13(22)18-2/h9,12H,3-8,10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 364.47 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 78840221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).