ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate

C22H20N2O4S — CID 7167159

IUPACethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O4S/c1-2-28-22(27)24-19(25)17-13-14-29-21(17)23-20(26)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyXANRVDSPKZOQMW-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.41
Rot. Bonds6

About ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7167159) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7167159
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Nameethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O4S/c1-2-28-22(27)24-19(25)17-13-14-29-21(17)23-20(26)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyXANRVDSPKZOQMW-UHFFFAOYSA-N
XLogP4.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 86581979

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate (CID 7167159) is ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is XANRVDSPKZOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-2-28-22(27)24-19(25)17-13-14-29-21(17)23-20(26)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 408.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).