N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide

C18H22N2O2S2 — CID 30455801

IUPACN-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2O2S2/c1-11-9-14(19-17(22)18(2,3)4)24-15(11)16(21)20-7-5-13-12(10-20)6-8-23-13/h6,8-9H,5,7,10H2,1-4H3,(H,19,22)
InChIKeyHXRBMJUPATVADC-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.30
Rot. Bonds2

About N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide

N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide (PubChem CID 30455801) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
PubChem CID30455801
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2O2S2/c1-11-9-14(19-17(22)18(2,3)4)24-15(11)16(21)20-7-5-13-12(10-20)6-8-23-13/h6,8-9H,5,7,10H2,1-4H3,(H,19,22)
InChIKeyHXRBMJUPATVADC-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)thiophen-2-yl]propanamide
CID 24665481
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 46676894
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 120818643
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470295
N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 37165642
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,5-dimethylanilino)ethanone
CID 37201756
2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide
CID 33233962
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 166385335
2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388490
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide (CID 30455801) is N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCc2sccc2C1.
What is the InChIKey of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The InChIKey is HXRBMJUPATVADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-11-9-14(19-17(22)18(2,3)4)24-15(11)16(21)20-7-5-13-12(10-20)6-8-23-13/h6,8-9H,5,7,10H2,1-4H3,(H,19,22).
What are the key properties of N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide has a molecular weight of 362.52 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 30455801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).