N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

C18H23N3O3S — CID 4052929

IUPACN-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H23N3O3S/c1-4-5-9-21(12-16(22)20-18-19-11-13(2)25-18)17(23)14-7-6-8-15(10-14)24-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,20,22)
InChIKeyNOUJXPOGWSMYHY-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.34
Rot. Bonds8

About N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 4052929) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID4052929
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H23N3O3S/c1-4-5-9-21(12-16(22)20-18-19-11-13(2)25-18)17(23)14-7-6-8-15(10-14)24-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,20,22)
InChIKeyNOUJXPOGWSMYHY-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3663835
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylnaphthalene-2-carboxamide
CID 4987057
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide
CID 3531708
4-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4145952
N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 3287313
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 42771484
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885
N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4080843
3-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4559201

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 4052929) is N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is CCCCN(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is NOUJXPOGWSMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-5-9-21(12-16(22)20-18-19-11-13(2)25-18)17(23)14-7-6-8-15(10-14)24-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,20,22).
What are the key properties of N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4052929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).