N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide

C22H25N3O2S — CID 4164205

IUPACN-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCc1csc(NC(=O)CN(CCC(C)C)C(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C22H25N3O2S/c1-15(2)10-11-25(13-20(26)24-22-23-16(3)14-28-22)21(27)19-9-8-17-6-4-5-7-18(17)12-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,23,24,26)
InChIKeyRWEZGWBYUQYBQN-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.73
Rot. Bonds7

About N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide

N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 4164205) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID4164205
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCc1csc(NC(=O)CN(CCC(C)C)C(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C22H25N3O2S/c1-15(2)10-11-25(13-20(26)24-22-23-16(3)14-28-22)21(27)19-9-8-17-6-4-5-7-18(17)12-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,23,24,26)
InChIKeyRWEZGWBYUQYBQN-UHFFFAOYSA-N
XLogP4.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 5009561
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 3460973
2-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4052949
N-ethyl-4-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 814196
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
CID 4188240
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4158385
3,5,5-trimethyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
CID 4069257
N-(3-ethoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4131219
4-chloro-N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3450536
4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3488841
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylnaphthalene-2-carboxamide
CID 4987057
4-ethyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4062814

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide (CID 4164205) is N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide is Cc1csc(NC(=O)CN(CCC(C)C)C(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is RWEZGWBYUQYBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15(2)10-11-25(13-20(26)24-22-23-16(3)14-28-22)21(27)19-9-8-17-6-4-5-7-18(17)12-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,23,24,26).
What are the key properties of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide?
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 4164205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).