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

C20H21N3O3S — CID 1131058

IUPACN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)c1
InChIInChI=1S/C20H21N3O3S/c1-13-16(12-21)19(22-18(24)14-7-6-8-15(11-14)26-2)27-17(13)20(25)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,22,24)
InChIKeyJFFAETCRSNPKBK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.82
Rot. Bonds4

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

N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide (PubChem CID 1131058) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide
PubChem CID1131058
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)c1
InChIInChI=1S/C20H21N3O3S/c1-13-16(12-21)19(22-18(24)14-7-6-8-15(11-14)26-2)27-17(13)20(25)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,22,24)
InChIKeyJFFAETCRSNPKBK-UHFFFAOYSA-N
XLogP3.82
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
CID 1131597
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
CID 1131109
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methoxybenzamide
CID 962467
methyl 4-methyl-2-[(3-methylbenzoyl)amino]-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17061330
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573
methyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 1131159
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide
CID 648943
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 4640060
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
3-fluoro-N-[5-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55828192

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide (CID 1131058) is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)c1.
What is the InChIKey of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide?
The InChIKey is JFFAETCRSNPKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-16(12-21)19(22-18(24)14-7-6-8-15(11-14)26-2)27-17(13)20(25)23-9-4-3-5-10-23/h6-8,11H,3-5,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide?
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.82, 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-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 1131058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).