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

C20H28N4O2S — CID 7361613

IUPAC(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N(CCN(C)C)CC(=O)Nc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C20H28N4O2S/c1-5-17(16-9-7-6-8-10-16)19(26)24(12-11-23(3)4)13-18(25)22-20-21-15(2)14-27-20/h6-10,14,17H,5,11-13H2,1-4H3,(H,21,22,25)/t17-/m0/s1
InChIKeyVZIZXZUYUGTTFG-KRWDZBQOSA-N
MW388.54 g/mol
LogP2.97
Rot. Bonds9

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

(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide (PubChem CID 7361613) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide
PubChem CID7361613
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N(CCN(C)C)CC(=O)Nc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C20H28N4O2S/c1-5-17(16-9-7-6-8-10-16)19(26)24(12-11-23(3)4)13-18(25)22-20-21-15(2)14-27-20/h6-10,14,17H,5,11-13H2,1-4H3,(H,21,22,25)/t17-/m0/s1
InChIKeyVZIZXZUYUGTTFG-KRWDZBQOSA-N
XLogP2.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
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N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylbutanamide
CID 42770867
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4158385
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 5064343
4-chloro-N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3450536
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-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
CID 78789416
(2S)-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7413286
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide (CID 7361613) is (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide is CC[C@H](C(=O)N(CCN(C)C)CC(=O)Nc1nc(C)cs1)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
The InChIKey is VZIZXZUYUGTTFG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-5-17(16-9-7-6-8-10-16)19(26)24(12-11-23(3)4)13-18(25)22-20-21-15(2)14-27-20/h6-10,14,17H,5,11-13H2,1-4H3,(H,21,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide has a molecular weight of 388.54 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide is sourced from PubChem (CID 7361613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).