N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide

C23H28FN3O2S — CID 98077276

IUPACN-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC([C@H](NC(=O)C3CC3)c3nccs3)CC2)cc1F
InChIInChI=1S/C23H28FN3O2S/c1-14-2-5-18(12-19(14)24)21(28)26-13-15-3-6-16(7-4-15)20(23-25-10-11-30-23)27-22(29)17-8-9-17/h2,5,10-12,15-17,20H,3-4,6-9,13H2,1H3,(H,26,28)(H,27,29)/t15?,16?,20-/m0/s1
InChIKeyKQKZNMNDARHRNF-PMTKGXAQSA-N
MW429.56 g/mol
LogP4.39
Rot. Bonds7

About N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide

N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide (PubChem CID 98077276) has the molecular formula C23H28FN3O2S and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide
PubChem CID98077276
Molecular FormulaC23H28FN3O2S
Molecular Weight429.56 g/mol
Exact Mass429.19
IUPAC NameN-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC([C@H](NC(=O)C3CC3)c3nccs3)CC2)cc1F
InChIInChI=1S/C23H28FN3O2S/c1-14-2-5-18(12-19(14)24)21(28)26-13-15-3-6-16(7-4-15)20(23-25-10-11-30-23)27-22(29)17-8-9-17/h2,5,10-12,15-17,20H,3-4,6-9,13H2,1H3,(H,26,28)(H,27,29)/t15?,16?,20-/m0/s1
InChIKeyKQKZNMNDARHRNF-PMTKGXAQSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide with MolForge

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Related Compounds

N-[[4-[(R)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077259
N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077263
N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
CID 98077255
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 98077240
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-[2-[[cyclopropyl(phenyl)methyl]carbamoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 42954573
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
CID 97218961

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide (CID 98077276) is N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCC([C@H](NC(=O)C3CC3)c3nccs3)CC2)cc1F.
What is the InChIKey of N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is KQKZNMNDARHRNF-PMTKGXAQSA-N. The full InChI is InChI=1S/C23H28FN3O2S/c1-14-2-5-18(12-19(14)24)21(28)26-13-15-3-6-16(7-4-15)20(23-25-10-11-30-23)27-22(29)17-8-9-17/h2,5,10-12,15-17,20H,3-4,6-9,13H2,1H3,(H,26,28)(H,27,29)/t15?,16?,20-/m0/s1.
What are the key properties of N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide?
N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 429.56 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 98077276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).