3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide

C17H20N2O2S — CID 119512463

IUPAC3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCN1)c1occc1CSc1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-17(19-11-14-5-4-9-18-14)16-13(8-10-21-16)12-22-15-6-2-1-3-7-15/h1-3,6-8,10,14,18H,4-5,9,11-12H2,(H,19,20)
InChIKeyKDKQRZGMFQFVKF-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.05
Rot. Bonds6

About 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide

3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide (PubChem CID 119512463) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
PubChem CID119512463
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCN1)c1occc1CSc1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-17(19-11-14-5-4-9-18-14)16-13(8-10-21-16)12-22-15-6-2-1-3-7-15/h1-3,6-8,10,14,18H,4-5,9,11-12H2,(H,19,20)
InChIKeyKDKQRZGMFQFVKF-UHFFFAOYSA-N
XLogP3.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
4-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542092
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
1-[2-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 166190432
3-[(2-fluorophenyl)sulfanylmethyl]-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119514043
1,4-diazepan-1-yl-[3-(phenylsulfanylmethyl)furan-2-yl]methanone;hydrochloride
CID 119416597
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119514825
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide (CID 119512463) is 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide is O=C(NCC1CCCN1)c1occc1CSc1ccccc1.
What is the InChIKey of 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is KDKQRZGMFQFVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(19-11-14-5-4-9-18-14)16-13(8-10-21-16)12-22-15-6-2-1-3-7-15/h1-3,6-8,10,14,18H,4-5,9,11-12H2,(H,19,20).
What are the key properties of 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 119512463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).