N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C18H16N2O5S2 — CID 60553481

IUPACN-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C18H16N2O5S2/c1-27(23,24)13-6-4-12(5-7-13)11-19-18(22)15-8-9-16(26-15)20-17(21)14-3-2-10-25-14/h2-10H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyYDKUSEKVQJVEOZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.93
Rot. Bonds6

About N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 60553481) has the molecular formula C18H16N2O5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID60553481
Molecular FormulaC18H16N2O5S2
Molecular Weight404.47 g/mol
Exact Mass404.05
IUPAC NameN-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C18H16N2O5S2/c1-27(23,24)13-6-4-12(5-7-13)11-19-18(22)15-8-9-16(26-15)20-17(21)14-3-2-10-25-14/h2-10H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyYDKUSEKVQJVEOZ-UHFFFAOYSA-N
XLogP2.93
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 94049859
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 24610904
N-[5-[[2-(methylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34756176
N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55509586
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 60553481) is N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is YDKUSEKVQJVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S2/c1-27(23,24)13-6-4-12(5-7-13)11-19-18(22)15-8-9-16(26-15)20-17(21)14-3-2-10-25-14/h2-10H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 60553481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).