2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C14H21NO2S — CID 111331996

IUPAC2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H21NO2S/c1-11-5-8-18-12(11)10-15-13(16)9-14(17)6-3-2-4-7-14/h5,8,17H,2-4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyYZTDPVPLWRXKSB-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.76
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 111331996) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID111331996
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H21NO2S/c1-11-5-8-18-12(11)10-15-13(16)9-14(17)6-3-2-4-7-14/h5,8,17H,2-4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyYZTDPVPLWRXKSB-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 111537358
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430473
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110899449
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 97008021
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
CID 115641770
4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115591

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 111331996) is 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is YZTDPVPLWRXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-5-8-18-12(11)10-15-13(16)9-14(17)6-3-2-4-7-14/h5,8,17H,2-4,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 111331996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).