N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide

C16H19NO3S — CID 138036216

IUPACN-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(c1cccs1)C1(CO)CCC1
InChIInChI=1S/C16H19NO3S/c1-11-5-8-20-13(11)15(19)17-14(12-4-2-9-21-12)16(10-18)6-3-7-16/h2,4-5,8-9,14,18H,3,6-7,10H2,1H3,(H,17,19)
InChIKeyBAJRRLPRRPFBIS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.28
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide (PubChem CID 138036216) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide
PubChem CID138036216
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(c1cccs1)C1(CO)CCC1
InChIInChI=1S/C16H19NO3S/c1-11-5-8-20-13(11)15(19)17-14(12-4-2-9-21-12)16(10-18)6-3-7-16/h2,4-5,8-9,14,18H,3,6-7,10H2,1H3,(H,17,19)
InChIKeyBAJRRLPRRPFBIS-UHFFFAOYSA-N
XLogP3.28
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 138036214
N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide
CID 146140088
N-[1-(hydroxymethyl)cyclopropyl]-3-methylfuran-2-carboxamide
CID 115764587
2-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
2-(3-bromo-4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide
CID 138007857
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide
CID 61121242
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
CID 61119426

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide (CID 138036216) is N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(c1cccs1)C1(CO)CCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide?
The InChIKey is BAJRRLPRRPFBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-5-8-20-13(11)15(19)17-14(12-4-2-9-21-12)16(10-18)6-3-7-16/h2,4-5,8-9,14,18H,3,6-7,10H2,1H3,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 138036216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).