4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide

C16H27NO2S — CID 111970464

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
SMILESCc1cc(CCCC(=O)NCCC(O)C(C)C)c(C)s1
InChIInChI=1S/C16H27NO2S/c1-11(2)15(18)8-9-17-16(19)7-5-6-14-10-12(3)20-13(14)4/h10-11,15,18H,5-9H2,1-4H3,(H,17,19)
InChIKeyKEJQFNFDNXUKSE-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.21
Rot. Bonds8

About 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide

4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide (PubChem CID 111970464) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
PubChem CID111970464
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
SMILESCc1cc(CCCC(=O)NCCC(O)C(C)C)c(C)s1
InChIInChI=1S/C16H27NO2S/c1-11(2)15(18)8-9-17-16(19)7-5-6-14-10-12(3)20-13(14)4/h10-11,15,18H,5-9H2,1-4H3,(H,17,19)
InChIKeyKEJQFNFDNXUKSE-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 119499768
(2S)-2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119359559
4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120652846
(2S)-2-[[2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695178
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
(2R)-2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]-4-methylpentanoic acid
CID 119363271
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119394631
4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119529711
4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 111970476
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 71974093
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576336

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide (CID 111970464) is 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide is Cc1cc(CCCC(=O)NCCC(O)C(C)C)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?
The InChIKey is KEJQFNFDNXUKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-11(2)15(18)8-9-17-16(19)7-5-6-14-10-12(3)20-13(14)4/h10-11,15,18H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?
4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide has a molecular weight of 297.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide is sourced from PubChem (CID 111970464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).