N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide

C14H21NO2S — CID 111859435

IUPACN-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)NCC2(O)CCC2)s1
InChIInChI=1S/C14H21NO2S/c1-11-6-7-12(18-11)4-2-5-13(16)15-10-14(17)8-3-9-14/h6-7,17H,2-5,8-10H2,1H3,(H,15,16)
InChIKeyNUGLCQRMRPIJGP-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.41
Rot. Bonds6

About N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide

N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide (PubChem CID 111859435) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
PubChem CID111859435
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)NCC2(O)CCC2)s1
InChIInChI=1S/C14H21NO2S/c1-11-6-7-12(18-11)4-2-5-13(16)15-10-14(17)8-3-9-14/h6-7,17H,2-5,8-10H2,1H3,(H,15,16)
InChIKeyNUGLCQRMRPIJGP-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119433722
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
N-[(1-hydroxycyclohexyl)methyl]-3-(5-methylfuran-2-yl)propanamide
CID 111560563
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide (CID 111859435) is N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide is Cc1ccc(CCCC(=O)NCC2(O)CCC2)s1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide?
The InChIKey is NUGLCQRMRPIJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-6-7-12(18-11)4-2-5-13(16)15-10-14(17)8-3-9-14/h6-7,17H,2-5,8-10H2,1H3,(H,15,16).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide?
N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide has a molecular weight of 267.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 111859435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).