N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide

C19H19N3O3S — CID 1131597

IUPACN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)cc1
InChIInChI=1S/C19H19N3O3S/c1-12-15(11-20)18(26-16(12)19(24)22-9-3-4-10-22)21-17(23)13-5-7-14(25-2)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyFBTZGCLICWVLML-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.43
Rot. Bonds4

About N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide

N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide (PubChem CID 1131597) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
PubChem CID1131597
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)cc1
InChIInChI=1S/C19H19N3O3S/c1-12-15(11-20)18(26-16(12)19(24)22-9-3-4-10-22)21-17(23)13-5-7-14(25-2)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyFBTZGCLICWVLML-UHFFFAOYSA-N
XLogP3.43
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide
CID 1131058
methyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 1131159
methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 4640060
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
CID 1131109
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide
CID 648943
N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-4-methylbenzamide
CID 126064797
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
CID 3714895
ethyl 4-cyano-3-methyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
CID 4571764
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
CID 1130935
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide (CID 1131597) is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)cc1.
What is the InChIKey of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide?
The InChIKey is FBTZGCLICWVLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-15(11-20)18(26-16(12)19(24)22-9-3-4-10-22)21-17(23)13-5-7-14(25-2)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide?
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide has a molecular weight of 369.45 g/mol, XLogP of 3.43, 4 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-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 1131597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).