N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide

C18H20N2O4S — CID 124873929

IUPACN-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O4S/c21-18(13-3-4-16-17(10-13)24-12-23-16)19-11-14(15-2-1-7-22-15)20-5-8-25-9-6-20/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyBWGYFQHQMQZZNC-CQSZACIVSA-N
MW360.44 g/mol
LogP2.53
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide

N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 124873929) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID124873929
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O4S/c21-18(13-3-4-16-17(10-13)24-12-23-16)19-11-14(15-2-1-7-22-15)20-5-8-25-9-6-20/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyBWGYFQHQMQZZNC-CQSZACIVSA-N
XLogP2.53
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7217379
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 124878574
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121019350
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7178897
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809
3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110621655

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide (CID 124873929) is N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide is O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is BWGYFQHQMQZZNC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(13-3-4-16-17(10-13)24-12-23-16)19-11-14(15-2-1-7-22-15)20-5-8-25-9-6-20/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 124873929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).