2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide

C11H12ClN3O3S — CID 2075802

IUPAC2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
SMILESNC(=O)NC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O3S/c12-7-1-3-8(4-2-7)14-9(16)5-19-6-10(17)15-11(13)18/h1-4H,5-6H2,(H,14,16)(H3,13,15,17,18)
InChIKeyDFMQTEQFXXIOFN-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide

2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide (PubChem CID 2075802) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
PubChem CID2075802
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
SMILESNC(=O)NC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O3S/c12-7-1-3-8(4-2-7)14-9(16)5-19-6-10(17)15-11(13)18/h1-4H,5-6H2,(H,14,16)(H3,13,15,17,18)
InChIKeyDFMQTEQFXXIOFN-UHFFFAOYSA-N
XLogP1.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
[amino-[2-(4-chloroanilino)-2-oxoethyl]sulfanylmethylidene]azanium
CID 2113962
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
[2-(ethylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 2502076
(4-chlorophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812349
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 4096018
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 7699071
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
CID 82182310
2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide
CID 9163333
N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
CID 9145872

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide (CID 2075802) is 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide is NC(=O)NC(=O)CSCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide?
The InChIKey is DFMQTEQFXXIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c12-7-1-3-8(4-2-7)14-9(16)5-19-6-10(17)15-11(13)18/h1-4H,5-6H2,(H,14,16)(H3,13,15,17,18).
What are the key properties of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide?
2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide has a molecular weight of 301.76 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2075802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).