4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide

C20H29NO3S — CID 167821623

IUPAC4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide
SMILESO=C(NC1(CO)CCSCC1)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C20H29NO3S/c22-15-20(10-12-25-13-11-20)21-19(23)17-6-8-18(9-7-17)24-14-16-4-2-1-3-5-16/h6-9,16,22H,1-5,10-15H2,(H,21,23)
InChIKeyLYUHBGRTFHFODS-UHFFFAOYSA-N
MW363.52 g/mol
LogP3.63
Rot. Bonds6

About 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide

4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide (PubChem CID 167821623) has the molecular formula C20H29NO3S and a molecular weight of 363.52 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide
PubChem CID167821623
Molecular FormulaC20H29NO3S
Molecular Weight363.52 g/mol
Exact Mass363.19
IUPAC Name4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide
SMILESO=C(NC1(CO)CCSCC1)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C20H29NO3S/c22-15-20(10-12-25-13-11-20)21-19(23)17-6-8-18(9-7-17)24-14-16-4-2-1-3-5-16/h6-9,16,22H,1-5,10-15H2,(H,21,23)
InChIKeyLYUHBGRTFHFODS-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
CID 119566289
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
CID 119996180
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943780
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
[4-[[4-(cyclohexylmethoxy)phenyl]methylcarbamoyl]phenyl] dihydrogen phosphate
CID 10812007
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide?
The IUPAC name of 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide (CID 167821623) is 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide is O=C(NC1(CO)CCSCC1)c1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide?
The InChIKey is LYUHBGRTFHFODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3S/c22-15-20(10-12-25-13-11-20)21-19(23)17-6-8-18(9-7-17)24-14-16-4-2-1-3-5-16/h6-9,16,22H,1-5,10-15H2,(H,21,23).
What are the key properties of 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide?
4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide has a molecular weight of 363.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide is sourced from PubChem (CID 167821623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).