N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C19H18N2O3S — CID 51331595

IUPACN-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H18N2O3S/c1-13-6-3-4-7-14(13)12-21(2)19(23)16-9-10-17(25-16)20-18(22)15-8-5-11-24-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyACIQKWAXKPZDQC-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.17
Rot. Bonds5

About N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 51331595) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID51331595
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H18N2O3S/c1-13-6-3-4-7-14(13)12-21(2)19(23)16-9-10-17(25-16)20-18(22)15-8-5-11-24-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyACIQKWAXKPZDQC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33164416
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 38044186
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330714
N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55591959
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31305744
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 86973700

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 51331595) is N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ACIQKWAXKPZDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-6-3-4-7-14(13)12-21(2)19(23)16-9-10-17(25-16)20-18(22)15-8-5-11-24-15/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51331595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).