4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C23H31N3O3S — CID 4168579

IUPAC4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC2CCCCC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-2-3-14-29-20-11-9-19(10-12-20)22(28)26(16-18-7-5-4-6-8-18)17-21(27)25-23-24-13-15-30-23/h9-13,15,18H,2-8,14,16-17H2,1H3,(H,24,25,27)
InChIKeyLKTYDRWYNJREJC-UHFFFAOYSA-N
MW429.59 g/mol
LogP4.98
Rot. Bonds10

About 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 4168579) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID4168579
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC2CCCCC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-2-3-14-29-20-11-9-19(10-12-20)22(28)26(16-18-7-5-4-6-8-18)17-21(27)25-23-24-13-15-30-23/h9-13,15,18H,2-8,14,16-17H2,1H3,(H,24,25,27)
InChIKeyLKTYDRWYNJREJC-UHFFFAOYSA-N
XLogP4.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4155344
3-bromo-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 42771458
N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-pentylbenzamide
CID 4178984
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771456
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814289
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 7361230
3-cyclopentyl-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 814287
N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4067037
2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 5163798
4-butyl-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770379

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 4168579) is 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is CCCCOc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC2CCCCC2)cc1.
What is the InChIKey of 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is LKTYDRWYNJREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-2-3-14-29-20-11-9-19(10-12-20)22(28)26(16-18-7-5-4-6-8-18)17-21(27)25-23-24-13-15-30-23/h9-13,15,18H,2-8,14,16-17H2,1H3,(H,24,25,27).
What are the key properties of 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 4168579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).