N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C19H22N4O3S — CID 78801385

IUPACN-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C19H22N4O3S/c1-20-17(24)13-22-8-10-23(11-9-22)19(26)14-4-6-15(7-5-14)21-18(25)16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,21,25)
InChIKeyNPRIMWIPVJKGFA-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.50
Rot. Bonds5

About N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 78801385) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID78801385
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C19H22N4O3S/c1-20-17(24)13-22-8-10-23(11-9-22)19(26)14-4-6-15(7-5-14)21-18(25)16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,21,25)
InChIKeyNPRIMWIPVJKGFA-UHFFFAOYSA-N
XLogP1.50
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 31718704
N-[4-[4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 47093375
N-[4-(5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 100652972
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 42470301
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 9021969
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 78801385) is N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is CNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is NPRIMWIPVJKGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-20-17(24)13-22-8-10-23(11-9-22)19(26)14-4-6-15(7-5-14)21-18(25)16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 78801385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).