2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide

C19H20ClN3O4S2 — CID 4936946

IUPAC2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20ClN3O4S2/c20-15-3-1-14(2-4-15)13-18(24)22-19(28)21-16-5-7-17(8-6-16)29(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H2,21,22,24,28)
InChIKeyCZEUHPQTMHMJFU-UHFFFAOYSA-N
MW453.97 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide (PubChem CID 4936946) has the molecular formula C19H20ClN3O4S2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide
PubChem CID4936946
Molecular FormulaC19H20ClN3O4S2
Molecular Weight453.97 g/mol
Exact Mass453.06
IUPAC Name2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20ClN3O4S2/c20-15-3-1-14(2-4-15)13-18(24)22-19(28)21-16-5-7-17(8-6-16)29(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H2,21,22,24,28)
InChIKeyCZEUHPQTMHMJFU-UHFFFAOYSA-N
XLogP2.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4946637
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
1-[2-(3-chlorophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271580
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393539
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide (CID 4936946) is 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide is O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide?
The InChIKey is CZEUHPQTMHMJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S2/c20-15-3-1-14(2-4-15)13-18(24)22-19(28)21-16-5-7-17(8-6-16)29(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H2,21,22,24,28).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide has a molecular weight of 453.97 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 4936946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).