N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide

C20H24N4O2S — CID 16676164

IUPACN-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(C(=O)N(C)C3CCCCC3)c2)cn1
InChIInChI=1S/C20H24N4O2S/c1-24(17-9-4-3-5-10-17)19(26)14-7-6-8-16(11-14)23-18(25)15-12-21-20(27-2)22-13-15/h6-8,11-13,17H,3-5,9-10H2,1-2H3,(H,23,25)
InChIKeyIBLAOWBCUZIWFY-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.86
Rot. Bonds5

About N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 16676164) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID16676164
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(C(=O)N(C)C3CCCCC3)c2)cn1
InChIInChI=1S/C20H24N4O2S/c1-24(17-9-4-3-5-10-17)19(26)14-7-6-8-16(11-14)23-18(25)15-12-21-20(27-2)22-13-15/h6-8,11-13,17H,3-5,9-10H2,1-2H3,(H,23,25)
InChIKeyIBLAOWBCUZIWFY-UHFFFAOYSA-N
XLogP3.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963711
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839417

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 16676164) is N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2cccc(C(=O)N(C)C3CCCCC3)c2)cn1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is IBLAOWBCUZIWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-24(17-9-4-3-5-10-17)19(26)14-7-6-8-16(11-14)23-18(25)15-12-21-20(27-2)22-13-15/h6-8,11-13,17H,3-5,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 16676164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).