N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide

C19H14Cl2N2O2S — CID 52680419

IUPACN-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1
InChIInChI=1S/C19H14Cl2N2O2S/c20-14-7-13(8-15(21)9-14)16-4-5-17(26-16)19(25)23-10-11-2-1-3-12(6-11)18(22)24/h1-9H,10H2,(H2,22,24)(H,23,25)
InChIKeyUPFKEWZBTOUGDT-UHFFFAOYSA-N
MW405.31 g/mol
LogP4.75
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide

N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide (PubChem CID 52680419) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
PubChem CID52680419
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC NameN-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1
InChIInChI=1S/C19H14Cl2N2O2S/c20-14-7-13(8-15(21)9-14)16-4-5-17(26-16)19(25)23-10-11-2-1-3-12(6-11)18(22)24/h1-9H,10H2,(H2,22,24)(H,23,25)
InChIKeyUPFKEWZBTOUGDT-UHFFFAOYSA-N
XLogP4.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55724024
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 62311231
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide (CID 52680419) is N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide is NC(=O)c1cccc(CNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The InChIKey is UPFKEWZBTOUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c20-14-7-13(8-15(21)9-14)16-4-5-17(26-16)19(25)23-10-11-2-1-3-12(6-11)18(22)24/h1-9H,10H2,(H2,22,24)(H,23,25).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide?
N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide has a molecular weight of 405.31 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 52680419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).