N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide

C18H16FN3O3S — CID 1130935

IUPACN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)c2ccccc2F)c1C#N
InChIInChI=1S/C18H16FN3O3S/c1-11-13(10-20)17(21-16(23)12-4-2-3-5-14(12)19)26-15(11)18(24)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3,(H,21,23)
InChIKeySXVGYMUZTHBKBX-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.79
Rot. Bonds3

About N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide

N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide (PubChem CID 1130935) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
PubChem CID1130935
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)c2ccccc2F)c1C#N
InChIInChI=1S/C18H16FN3O3S/c1-11-13(10-20)17(21-16(23)12-4-2-3-5-14(12)19)26-15(11)18(24)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3,(H,21,23)
InChIKeySXVGYMUZTHBKBX-UHFFFAOYSA-N
XLogP2.79
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130849
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1004833
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
CID 1131109
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide
CID 648943
ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate
CID 3141694
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
CID 1131597
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide
CID 1131058
methyl 4-cyano-3-methyl-5-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]thiophene-2-carboxylate
CID 3993179
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864
2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
CID 67400020

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide (CID 1130935) is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide is Cc1c(C(=O)N2CCOCC2)sc(NC(=O)c2ccccc2F)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide?
The InChIKey is SXVGYMUZTHBKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-11-13(10-20)17(21-16(23)12-4-2-3-5-14(12)19)26-15(11)18(24)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3,(H,21,23).
What are the key properties of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide?
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide has a molecular weight of 373.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 1130935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).