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

C18H21N3O2S — CID 39161677

IUPACN-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C18H21N3O2S/c1-12-13(2)24-17(20-16(22)14-6-4-3-5-7-14)15(12)18(23)21-10-8-19-9-11-21/h3-7,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyAINPFWGXXYZSSV-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.66
Rot. Bonds3

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

N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide (PubChem CID 39161677) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
PubChem CID39161677
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C18H21N3O2S/c1-12-13(2)24-17(20-16(22)14-6-4-3-5-7-14)15(12)18(23)21-10-8-19-9-11-21/h3-7,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyAINPFWGXXYZSSV-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide
CID 39161723
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
N-[3-(piperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
CID 119402303
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
CID 5158950
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
N-[3-[(R)-anilino(phenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 40684745
2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500894

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide?
The IUPAC name of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide (CID 39161677) is N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCNCC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide?
The InChIKey is AINPFWGXXYZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-13(2)24-17(20-16(22)14-6-4-3-5-7-14)15(12)18(23)21-10-8-19-9-11-21/h3-7,19H,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide?
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 39161677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).