N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide

C18H15NO6S2 — CID 9183705

IUPACN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1)c1ccco1
InChIInChI=1S/C18H15NO6S2/c20-18(14-3-1-7-23-14)19-10-16(27(21,22)17-4-2-8-26-17)12-5-6-13-15(9-12)25-11-24-13/h1-9,16H,10-11H2,(H,19,20)/t16-/m0/s1
InChIKeyIVGWMNFCNVDXRU-INIZCTEOSA-N
MW405.45 g/mol
LogP3.01
Rot. Bonds6

About N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide

N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide (PubChem CID 9183705) has the molecular formula C18H15NO6S2 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
PubChem CID9183705
Molecular FormulaC18H15NO6S2
Molecular Weight405.45 g/mol
Exact Mass405.03
IUPAC NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1)c1ccco1
InChIInChI=1S/C18H15NO6S2/c20-18(14-3-1-7-23-14)19-10-16(27(21,22)17-4-2-8-26-17)12-5-6-13-15(9-12)25-11-24-13/h1-9,16H,10-11H2,(H,19,20)/t16-/m0/s1
InChIKeyIVGWMNFCNVDXRU-INIZCTEOSA-N
XLogP3.01
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9182290
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-chloropropanamide
CID 9183669
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 9168936
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555302
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 94297321
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 7268351
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42455962
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
N-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 42934368
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide (CID 9183705) is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide is O=C(NC[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1)c1ccco1.
What is the InChIKey of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
The InChIKey is IVGWMNFCNVDXRU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15NO6S2/c20-18(14-3-1-7-23-14)19-10-16(27(21,22)17-4-2-8-26-17)12-5-6-13-15(9-12)25-11-24-13/h1-9,16H,10-11H2,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide?
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide is sourced from PubChem (CID 9183705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).