N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C21H21N3O3S — CID 78853961

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C21H21N3O3S/c1-27-14-16-8-6-5-7-15(16)13-22-20(25)18-11-12-19(28-18)24-21(26)23-17-9-3-2-4-10-17/h2-12H,13-14H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyKEJZXTSZEALWTD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.47
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78853961) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78853961
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C21H21N3O3S/c1-27-14-16-8-6-5-7-15(16)13-22-20(25)18-11-12-19(28-18)24-21(26)23-17-9-3-2-4-10-17/h2-12H,13-14H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyKEJZXTSZEALWTD-UHFFFAOYSA-N
XLogP4.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803
N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849550
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849139
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850259
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849577
1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
CID 86806417
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 37398463
5-(phenylcarbamoylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 112815001

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78853961) is N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is COCc1ccccc1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is KEJZXTSZEALWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-27-14-16-8-6-5-7-15(16)13-22-20(25)18-11-12-19(28-18)24-21(26)23-17-9-3-2-4-10-17/h2-12H,13-14H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78853961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).