N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide

C15H14ClN3O2S — CID 47045237

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccsc3)cc2Cl)CCN1
InChIInChI=1S/C15H14ClN3O2S/c16-12-7-11(18-15(21)10-3-6-22-9-10)1-2-13(12)19-5-4-17-14(20)8-19/h1-3,6-7,9H,4-5,8H2,(H,17,20)(H,18,21)
InChIKeyIYLDLWFTEZUXFJ-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.59
Rot. Bonds3

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide (PubChem CID 47045237) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
PubChem CID47045237
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccsc3)cc2Cl)CCN1
InChIInChI=1S/C15H14ClN3O2S/c16-12-7-11(18-15(21)10-3-6-22-9-10)1-2-13(12)19-5-4-17-14(20)8-19/h1-3,6-7,9H,4-5,8H2,(H,17,20)(H,18,21)
InChIKeyIYLDLWFTEZUXFJ-UHFFFAOYSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55850883
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46468044
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55710849
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 60510122
N-[3-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55763705
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 55661796
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55710749
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55661860
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46467787
1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[2-(diethylamino)-2-thiophen-3-ylethyl]urea
CID 51116798

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide (CID 47045237) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide is O=C1CN(c2ccc(NC(=O)c3ccsc3)cc2Cl)CCN1.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is IYLDLWFTEZUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-12-7-11(18-15(21)10-3-6-22-9-10)1-2-13(12)19-5-4-17-14(20)8-19/h1-3,6-7,9H,4-5,8H2,(H,17,20)(H,18,21).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 47045237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).