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

C18H20N2O3S — CID 833851

IUPACN-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H20N2O3S/c1-12-13(2)24-17(19-16(21)14-6-4-3-5-7-14)15(12)18(22)20-8-10-23-11-9-20/h3-7H,8-11H2,1-2H3,(H,19,21)
InChIKeyNTMPIFLEZHYEAS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.09
Rot. Bonds3

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

N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide (PubChem CID 833851) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
PubChem CID833851
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H20N2O3S/c1-12-13(2)24-17(19-16(21)14-6-4-3-5-7-14)15(12)18(22)20-8-10-23-11-9-20/h3-7H,8-11H2,1-2H3,(H,19,21)
InChIKeyNTMPIFLEZHYEAS-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 39161677
ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
CID 16566650
4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
CID 24617829
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33170746
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
CID 3632977
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416603
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
CID 16559104
N-[4,5-dimethyl-3-[(S)-morpholin-4-yl(phenyl)methyl]thiophen-2-yl]-4-methoxybenzamide
CID 1382592
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide
CID 39161723
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide?
The IUPAC name of N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide (CID 833851) is N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCOCC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide?
The InChIKey is NTMPIFLEZHYEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-13(2)24-17(19-16(21)14-6-4-3-5-7-14)15(12)18(22)20-8-10-23-11-9-20/h3-7H,8-11H2,1-2H3,(H,19,21).
What are the key properties of N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide?
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 833851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).