cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide

C19H17NO5S2 — CID 97006943

IUPACcis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)[C@H]2C[C@H]2c2ccco2)c2ccc(O)cc2)s1
InChIInChI=1S/C19H17NO5S2/c1-12-4-9-18(26-12)27(23,24)20(13-5-7-14(21)8-6-13)19(22)16-11-15(16)17-3-2-10-25-17/h2-10,15-16,21H,11H2,1H3/t15-,16+/m1/s1
InChIKeyPVJGROMJWMUWDT-CVEARBPZSA-N
MW403.48 g/mol
LogP3.88
Rot. Bonds5

About cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide

cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide (PubChem CID 97006943) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide
PubChem CID97006943
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC Namecis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)[C@H]2C[C@H]2c2ccco2)c2ccc(O)cc2)s1
InChIInChI=1S/C19H17NO5S2/c1-12-4-9-18(26-12)27(23,24)20(13-5-7-14(21)8-6-13)19(22)16-11-15(16)17-3-2-10-25-17/h2-10,15-16,21H,11H2,1H3/t15-,16+/m1/s1
InChIKeyPVJGROMJWMUWDT-CVEARBPZSA-N
XLogP3.88
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide (CID 97006943) is cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2C[C@H]2c2ccco2)c2ccc(O)cc2)s1.
What is the InChIKey of cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is PVJGROMJWMUWDT-CVEARBPZSA-N. The full InChI is InChI=1S/C19H17NO5S2/c1-12-4-9-18(26-12)27(23,24)20(13-5-7-14(21)8-6-13)19(22)16-11-15(16)17-3-2-10-25-17/h2-10,15-16,21H,11H2,1H3/t15-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(furan-2-yl)-N-(4-hydroxyphenyl)-N-(5-methylthiophen-2-yl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 97006943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).