N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide

C18H19ClN2O3S — CID 100697984

IUPACN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-25-15-7-3-6-14(11-15)21-18(24)17(23)20-9-8-16(22)12-4-2-5-13(19)10-12/h2-7,10-11,16,22H,8-9H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCPCHSMHOWWKAAN-MRXNPFEDSA-N
MW378.88 g/mol
LogP3.24
Rot. Bonds6

About N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide

N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide (PubChem CID 100697984) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide
PubChem CID100697984
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-25-15-7-3-6-14(11-15)21-18(24)17(23)20-9-8-16(22)12-4-2-5-13(19)10-12/h2-7,10-11,16,22H,8-9H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCPCHSMHOWWKAAN-MRXNPFEDSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 44997522
2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 112810915
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
[1-[[3-(3-chlorophenyl)-3-hydroxypropyl]amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91624388
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 3807651
3-[[2-(3-chloroanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7541412
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108512717
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide (CID 100697984) is N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide?
The InChIKey is CPCHSMHOWWKAAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-25-15-7-3-6-14(11-15)21-18(24)17(23)20-9-8-16(22)12-4-2-5-13(19)10-12/h2-7,10-11,16,22H,8-9H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide?
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide has a molecular weight of 378.88 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 100697984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).