2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid

C18H18N2O6S — CID 119183357

IUPAC2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
SMILESNC(=O)C1CN(C(=O)c2ccccc2SCc2occc2C(=O)O)CCO1
InChIInChI=1S/C18H18N2O6S/c19-16(21)13-9-20(6-8-26-13)17(22)12-3-1-2-4-15(12)27-10-14-11(18(23)24)5-7-25-14/h1-5,7,13H,6,8-10H2,(H2,19,21)(H,23,24)
InChIKeyCWIZWHKUIKUVIY-UHFFFAOYSA-N
MW390.42 g/mol
LogP1.60
Rot. Bonds6

About 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid

2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid (PubChem CID 119183357) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
PubChem CID119183357
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
SMILESNC(=O)C1CN(C(=O)c2ccccc2SCc2occc2C(=O)O)CCO1
InChIInChI=1S/C18H18N2O6S/c19-16(21)13-9-20(6-8-26-13)17(22)12-3-1-2-4-15(12)27-10-14-11(18(23)24)5-7-25-14/h1-5,7,13H,6,8-10H2,(H2,19,21)(H,23,24)
InChIKeyCWIZWHKUIKUVIY-UHFFFAOYSA-N
XLogP1.60
TPSA123.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[3-(2-methoxyethoxy)azetidine-1-carbonyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119186890
2-[[2-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119182395
methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate
CID 56580779
methyl 2-[[2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]phenyl]sulfanylmethyl]furan-3-carboxylate
CID 56547716
2-[[2-(dicyclopropylmethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119180062
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242
2-[[2-[cyclobutylmethyl(methyl)carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119183986
2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid
CID 43244832
(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
CID 94371459
2-[[2-(2-cyclopropylethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 120692043
4-(2-iodobenzoyl)morpholine-2-carbothioamide
CID 79674398
2-[[2-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119185074

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid (CID 119183357) is 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid is NC(=O)C1CN(C(=O)c2ccccc2SCc2occc2C(=O)O)CCO1.
What is the InChIKey of 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid?
The InChIKey is CWIZWHKUIKUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c19-16(21)13-9-20(6-8-26-13)17(22)12-3-1-2-4-15(12)27-10-14-11(18(23)24)5-7-25-14/h1-5,7,13H,6,8-10H2,(H2,19,21)(H,23,24).
What are the key properties of 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid?
2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid has a molecular weight of 390.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid is sourced from PubChem (CID 119183357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).