5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide

C17H19ClN4O4S2 — CID 30767130

IUPAC5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19ClN4O4S2/c1-27-17-20-11-14(18)15(21-17)16(23)19-10-12-2-4-13(5-3-12)28(24,25)22-6-8-26-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
InChIKeyLVHYUBHDKADGPS-UHFFFAOYSA-N
MW442.95 g/mol
LogP1.80
Rot. Bonds6

About 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide

5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 30767130) has the molecular formula C17H19ClN4O4S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID30767130
Molecular FormulaC17H19ClN4O4S2
Molecular Weight442.95 g/mol
Exact Mass442.05
IUPAC Name5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19ClN4O4S2/c1-27-17-20-11-14(18)15(21-17)16(23)19-10-12-2-4-13(5-3-12)28(24,25)22-6-8-26-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
InChIKeyLVHYUBHDKADGPS-UHFFFAOYSA-N
XLogP1.80
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 2980599
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-6-carboxamide
CID 55825308
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide (CID 30767130) is 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is LVHYUBHDKADGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4S2/c1-27-17-20-11-14(18)15(21-17)16(23)19-10-12-2-4-13(5-3-12)28(24,25)22-6-8-26-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23).
What are the key properties of 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide?
5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 30767130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).