N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide

C17H21NO2S — CID 93486739

IUPACN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H21NO2S/c1-12(2)11-15(13-6-8-14(20-3)9-7-13)18-17(19)16-5-4-10-21-16/h4-10,12,15H,11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyAGKOKXRSOINJSA-HNNXBMFYSA-N
MW303.43 g/mol
LogP4.27
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide

N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide (PubChem CID 93486739) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
PubChem CID93486739
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H21NO2S/c1-12(2)11-15(13-6-8-14(20-3)9-7-13)18-17(19)16-5-4-10-21-16/h4-10,12,15H,11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyAGKOKXRSOINJSA-HNNXBMFYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 92674510
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
phenacyl (3S)-3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 40852828
phenacyl 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 3477347
2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92677839
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 1263207
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide (CID 93486739) is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide is COc1ccc([C@H](CC(C)C)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide?
The InChIKey is AGKOKXRSOINJSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12(2)11-15(13-6-8-14(20-3)9-7-13)18-17(19)16-5-4-10-21-16/h4-10,12,15H,11H2,1-3H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide is sourced from PubChem (CID 93486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).