N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C21H25N3O3S2 — CID 11154686

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1=NCCS1)C1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H25N3O3S2/c25-20(24-21-22-12-13-28-21)17-10-8-15(9-11-17)14-23-29(26,27)19-7-3-5-16-4-1-2-6-18(16)19/h1-7,15,17,23H,8-14H2,(H,22,24,25)
InChIKeyPKUMFRJWWRIZFS-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.14
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 11154686) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID11154686
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1=NCCS1)C1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H25N3O3S2/c25-20(24-21-22-12-13-28-21)17-10-8-15(9-11-17)14-23-29(26,27)19-7-3-5-16-4-1-2-6-18(16)19/h1-7,15,17,23H,8-14H2,(H,22,24,25)
InChIKeyPKUMFRJWWRIZFS-UHFFFAOYSA-N
XLogP3.14
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 11443242
N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599
4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496159
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
CID 108884683
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 20862326
N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 139925377
N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880578
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(2,5-dimethylphenyl)cyclohexane-1-carboxamide
CID 20862360
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 121108399
N-[[4-[[[4-(cyclohexylmethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 158439299
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 11154686) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is O=C(NC1=NCCS1)C1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is PKUMFRJWWRIZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c25-20(24-21-22-12-13-28-21)17-10-8-15(9-11-17)14-23-29(26,27)19-7-3-5-16-4-1-2-6-18(16)19/h1-7,15,17,23H,8-14H2,(H,22,24,25).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11154686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).