N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide

C15H21ClN4O3S2 — CID 9477833

IUPACN-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESCOC[C@@H](C)NC(=S)NNC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN4O3S2/c1-10(7-23-2)17-15(24)20-19-14(22)9-25-8-13(21)18-12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,19,22)(H2,17,20,24)/t10-/m1/s1
InChIKeyUJKZPDQUUKRYTH-SNVBAGLBSA-N
MW404.95 g/mol
LogP1.54
Rot. Bonds8

About N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide

N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide (PubChem CID 9477833) has the molecular formula C15H21ClN4O3S2 and a molecular weight of 404.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
PubChem CID9477833
Molecular FormulaC15H21ClN4O3S2
Molecular Weight404.95 g/mol
Exact Mass404.07
IUPAC NameN-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESCOC[C@@H](C)NC(=S)NNC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN4O3S2/c1-10(7-23-2)17-15(24)20-19-14(22)9-25-8-13(21)18-12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,19,22)(H2,17,20,24)/t10-/m1/s1
InChIKeyUJKZPDQUUKRYTH-SNVBAGLBSA-N
XLogP1.54
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9477823
1-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477702
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 4096018
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60684118
1-[[2-(4-bromophenyl)acetyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478675
2-[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 25104686
1-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 8637676
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477506
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 25103983
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide (CID 9477833) is N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide is COC[C@@H](C)NC(=S)NNC(=O)CSCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is UJKZPDQUUKRYTH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21ClN4O3S2/c1-10(7-23-2)17-15(24)20-19-14(22)9-25-8-13(21)18-12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,19,22)(H2,17,20,24)/t10-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 404.95 g/mol, XLogP of 1.54, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9477833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).