N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide

C16H19NO3S — CID 111433757

IUPACN-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCC(O)CCNC(=O)c1occc1CSc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-12(18)7-9-17-16(19)15-13(8-10-20-15)11-21-14-5-3-2-4-6-14/h2-6,8,10,12,18H,7,9,11H2,1H3,(H,17,19)
InChIKeySQAZMSYYPXZGNW-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.07
Rot. Bonds7

About N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 111433757) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID111433757
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCC(O)CCNC(=O)c1occc1CSc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-12(18)7-9-17-16(19)15-13(8-10-20-15)11-21-14-5-3-2-4-6-14/h2-6,8,10,12,18H,7,9,11H2,1H3,(H,17,19)
InChIKeySQAZMSYYPXZGNW-UHFFFAOYSA-N
XLogP3.07
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78842505
N-[(2,3-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78851820
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134000854
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78861956
4-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542092
3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 119512463
N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78829710
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43132063

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 111433757) is N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide is CC(O)CCNC(=O)c1occc1CSc1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is SQAZMSYYPXZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12(18)7-9-17-16(19)15-13(8-10-20-15)11-21-14-5-3-2-4-6-14/h2-6,8,10,12,18H,7,9,11H2,1H3,(H,17,19).
What are the key properties of N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 111433757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).