N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C19H18N2O3S — CID 32909045

IUPACN-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H18N2O3S/c1-13(14-7-4-3-5-8-14)21(2)19(23)16-10-11-17(25-16)20-18(22)15-9-6-12-24-15/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyUXJWXYHDRIPKRN-ZDUSSCGKSA-N
MW354.43 g/mol
LogP4.43
Rot. Bonds5

About N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 32909045) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID32909045
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H18N2O3S/c1-13(14-7-4-3-5-8-14)21(2)19(23)16-10-11-17(25-16)20-18(22)15-9-6-12-24-15/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyUXJWXYHDRIPKRN-ZDUSSCGKSA-N
XLogP4.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 71684878
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55510046
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N-[5-[1-(2-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330570
[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149797
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55510708
N-[5-[1-(2-methoxyphenyl)ethyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55579377
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31305744

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 32909045) is N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is UXJWXYHDRIPKRN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13(14-7-4-3-5-8-14)21(2)19(23)16-10-11-17(25-16)20-18(22)15-9-6-12-24-15/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 32909045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).