[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate

C16H20N4O4S — CID 7133770

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
SMILESCCCn1c(SCC(=O)O[C@H](C)C(=O)NC(N)=O)nc2ccccc21
InChIInChI=1S/C16H20N4O4S/c1-3-8-20-12-7-5-4-6-11(12)18-16(20)25-9-13(21)24-10(2)14(22)19-15(17)23/h4-7,10H,3,8-9H2,1-2H3,(H3,17,19,22,23)/t10-/m1/s1
InChIKeyNOTGGQDWXYTEOQ-SNVBAGLBSA-N
MW364.43 g/mol
LogP1.66
Rot. Bonds7

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate (PubChem CID 7133770) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
PubChem CID7133770
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
SMILESCCCn1c(SCC(=O)O[C@H](C)C(=O)NC(N)=O)nc2ccccc21
InChIInChI=1S/C16H20N4O4S/c1-3-8-20-12-7-5-4-6-11(12)18-16(20)25-9-13(21)24-10(2)14(22)19-15(17)23/h4-7,10H,3,8-9H2,1-2H3,(H3,17,19,22,23)/t10-/m1/s1
InChIKeyNOTGGQDWXYTEOQ-SNVBAGLBSA-N
XLogP1.66
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133772
[2-(cyclopropylamino)-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133796
(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide
CID 40730768
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4875315
(4-cyanophenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133782
3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide
CID 134824089
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate
CID 42974348
propan-2-yl 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 1470410
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133747
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637836
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate (CID 7133770) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate is CCCn1c(SCC(=O)O[C@H](C)C(=O)NC(N)=O)nc2ccccc21.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate?
The InChIKey is NOTGGQDWXYTEOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-3-8-20-12-7-5-4-6-11(12)18-16(20)25-9-13(21)24-10(2)14(22)19-15(17)23/h4-7,10H,3,8-9H2,1-2H3,(H3,17,19,22,23)/t10-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate has a molecular weight of 364.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate is sourced from PubChem (CID 7133770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).