3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C20H25NO3S — CID 71657865

IUPAC3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(OC(C)C)ccc1C(=O)C(C)(C)NC(=O)c1sccc1C
InChIInChI=1S/C20H25NO3S/c1-12(2)24-15-7-8-16(14(4)11-15)18(22)20(5,6)21-19(23)17-13(3)9-10-25-17/h7-12H,1-6H3,(H,21,23)
InChIKeyWMKZDPFZIZQROT-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.54
Rot. Bonds6

About 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide

3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 71657865) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID71657865
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(OC(C)C)ccc1C(=O)C(C)(C)NC(=O)c1sccc1C
InChIInChI=1S/C20H25NO3S/c1-12(2)24-15-7-8-16(14(4)11-15)18(22)20(5,6)21-19(23)17-13(3)9-10-25-17/h7-12H,1-6H3,(H,21,23)
InChIKeyWMKZDPFZIZQROT-UHFFFAOYSA-N
XLogP4.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-[(1-{[2-Oxo-2-(thiophen-3-yl)ethyl]amino}cyclopentyl)methoxy]benzamide
CID 16725905
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CID 23647085
4-ethoxy-N-(2-thienylmethyl)benzamide
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4-butoxy-N-[2-(thiophen-2-yl)ethyl]benzamide
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N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
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4-isopropoxy-N-(2-thienylmethyl)benzamide
CID 2493276
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide
CID 4875784
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4807652
N-[2-(4-ethoxyphenyl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010480
N-[2-(4-Ethoxyphenyl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 16010590
4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 24818032
4-(4-ethoxyphenyl)-N-ethyl-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 24979884

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 71657865) is 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1cc(OC(C)C)ccc1C(=O)C(C)(C)NC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is WMKZDPFZIZQROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-12(2)24-15-7-8-16(14(4)11-15)18(22)20(5,6)21-19(23)17-13(3)9-10-25-17/h7-12H,1-6H3,(H,21,23).
What are the key properties of 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71657865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).