N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide

C21H27ClN4O3S — CID 177378176

IUPACN-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1
InChIInChI=1S/C21H27ClN4O3S/c1-13(2)30(28,29)19-7-5-4-6-18(19)25-21-17(22)12-23-20(26-21)15-8-10-16(11-9-15)24-14(3)27/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyUSDBEZRARXRGGK-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.22
Rot. Bonds6

About N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide

N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide (PubChem CID 177378176) has the molecular formula C21H27ClN4O3S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide
PubChem CID177378176
Molecular FormulaC21H27ClN4O3S
Molecular Weight450.99 g/mol
Exact Mass450.15
IUPAC NameN-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1
InChIInChI=1S/C21H27ClN4O3S/c1-13(2)30(28,29)19-7-5-4-6-18(19)25-21-17(22)12-23-20(26-21)15-8-10-16(11-9-15)24-14(3)27/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyUSDBEZRARXRGGK-UHFFFAOYSA-N
XLogP4.22
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]benzoic acid
CID 155549635
5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 176671649
5-chloro-2-N-[(E)-(2-chlorophenyl)methylideneamino]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 134135463
5-chloro-2-N-(2,5-dimethylpyrazol-3-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 58235543
(E)-3-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 164615089
N-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]benzamide
CID 175186504
2-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-methyl-1,3-thiazole-4-carboxamide
CID 118713267
2-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)benzamide
CID 11534648
1-amino-N-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]cyclopropane-1-carboxamide
CID 118722215
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
5-chloro-2-N-[2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 58235749
N-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2-(dimethylamino)acetamide
CID 145195384

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide (CID 177378176) is N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1.
What is the InChIKey of N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide?
The InChIKey is USDBEZRARXRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3S/c1-13(2)30(28,29)19-7-5-4-6-18(19)25-21-17(22)12-23-20(26-21)15-8-10-16(11-9-15)24-14(3)27/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide?
N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide has a molecular weight of 450.99 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]cyclohexyl]acetamide is sourced from PubChem (CID 177378176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).