N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H26N4O3S — CID 34934455

IUPACN-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)N(C)C
InChIInChI=1S/C23H26N4O3S/c1-27(2)19(18-11-7-8-12-20(18)30-3)14-24-21(28)13-17-15-31-23(25-17)26-22(29)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,24,28)(H,25,26,29)/t19-/m1/s1
InChIKeyVXPIBQOPCHKXKP-LJQANCHMSA-N
MW438.55 g/mol
LogP3.37
Rot. Bonds9

About N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 34934455) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID34934455
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)N(C)C
InChIInChI=1S/C23H26N4O3S/c1-27(2)19(18-11-7-8-12-20(18)30-3)14-24-21(28)13-17-15-31-23(25-17)26-22(29)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,24,28)(H,25,26,29)/t19-/m1/s1
InChIKeyVXPIBQOPCHKXKP-LJQANCHMSA-N
XLogP3.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 55450396
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N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
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CID 18169150
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
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CID 30275534
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
3,5-dimethoxy-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841940
N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134058671
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 34934455) is N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is COc1ccccc1[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)N(C)C.
What is the InChIKey of N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is VXPIBQOPCHKXKP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-27(2)19(18-11-7-8-12-20(18)30-3)14-24-21(28)13-17-15-31-23(25-17)26-22(29)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,24,28)(H,25,26,29)/t19-/m1/s1.
What are the key properties of N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 34934455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).