N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C20H19N3O2S — CID 78849550

IUPACN-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C20H19N3O2S/c1-14-6-5-7-15(12-14)13-21-19(24)17-10-11-18(26-17)23-20(25)22-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyIKNCIGCXKVBWEV-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.63
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78849550) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78849550
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C20H19N3O2S/c1-14-6-5-7-15(12-14)13-21-19(24)17-10-11-18(26-17)23-20(25)22-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyIKNCIGCXKVBWEV-UHFFFAOYSA-N
XLogP4.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850259
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78890714
5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 78890544
5-(phenylcarbamoylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 112815001
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
N-[3-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55817668
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78849550) is N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is Cc1cccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is IKNCIGCXKVBWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-6-5-7-15(12-14)13-21-19(24)17-10-11-18(26-17)23-20(25)22-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78849550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).