N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

C22H22N2O2S2 — CID 38769819

IUPACN-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCCCSc1ccccc1
InChIInChI=1S/C22H22N2O2S2/c1-24(22(26)20-13-7-15-28-20)19-12-6-5-11-18(19)21(25)23-14-8-16-27-17-9-3-2-4-10-17/h2-7,9-13,15H,8,14,16H2,1H3,(H,23,25)
InChIKeyPHUBFTQRNJDKFE-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.94
Rot. Bonds8

About N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 38769819) has the molecular formula C22H22N2O2S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID38769819
Molecular FormulaC22H22N2O2S2
Molecular Weight410.56 g/mol
Exact Mass410.11
IUPAC NameN-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCCCSc1ccccc1
InChIInChI=1S/C22H22N2O2S2/c1-24(22(26)20-13-7-15-28-20)19-12-6-5-11-18(19)21(25)23-14-8-16-27-17-9-3-2-4-10-17/h2-7,9-13,15H,8,14,16H2,1H3,(H,23,25)
InChIKeyPHUBFTQRNJDKFE-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35700243
N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 24684951
N-[2-[2-(2-cyano-3-fluoroanilino)ethylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 55753887
N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 55567595
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35739105
N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 131937299
N-methyl-N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24684787
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 47031153
N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55748660
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 38769819) is N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)NCCCSc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is PHUBFTQRNJDKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S2/c1-24(22(26)20-13-7-15-28-20)19-12-6-5-11-18(19)21(25)23-14-8-16-27-17-9-3-2-4-10-17/h2-7,9-13,15H,8,14,16H2,1H3,(H,23,25).
What are the key properties of N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 38769819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).