N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide

C22H31N5O4S2 — CID 5272391

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide
SMILESNc1nc(-c2ccc(NC(=O)CN(CC3CCCCC3)S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H31N5O4S2/c23-22-25-20(16-32-22)18-6-8-19(9-7-18)24-21(28)15-27(14-17-4-2-1-3-5-17)33(29,30)26-10-12-31-13-11-26/h6-9,16-17H,1-5,10-15H2,(H2,23,25)(H,24,28)
InChIKeyZJAIQNLYZMFVHT-UHFFFAOYSA-N
MW493.66 g/mol
LogP2.79
Rot. Bonds8

About N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide (PubChem CID 5272391) has the molecular formula C22H31N5O4S2 and a molecular weight of 493.66 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide
PubChem CID5272391
Molecular FormulaC22H31N5O4S2
Molecular Weight493.66 g/mol
Exact Mass493.18
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide
SMILESNc1nc(-c2ccc(NC(=O)CN(CC3CCCCC3)S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H31N5O4S2/c23-22-25-20(16-32-22)18-6-8-19(9-7-18)24-21(28)15-27(14-17-4-2-1-3-5-17)33(29,30)26-10-12-31-13-11-26/h6-9,16-17H,1-5,10-15H2,(H2,23,25)(H,24,28)
InChIKeyZJAIQNLYZMFVHT-UHFFFAOYSA-N
XLogP2.79
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
CID 5272322
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 5272333
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
2-cyclopentyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839435
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
tert-butyl N-[(2S)-1-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 5272538
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55626130
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(3,5-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 10076210
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]propanamide
CID 810324

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide (CID 5272391) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide is Nc1nc(-c2ccc(NC(=O)CN(CC3CCCCC3)S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide?
The InChIKey is ZJAIQNLYZMFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S2/c23-22-25-20(16-32-22)18-6-8-19(9-7-18)24-21(28)15-27(14-17-4-2-1-3-5-17)33(29,30)26-10-12-31-13-11-26/h6-9,16-17H,1-5,10-15H2,(H2,23,25)(H,24,28).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide has a molecular weight of 493.66 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 5272391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).