2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C19H25N5O3S — CID 9200812

IUPAC2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccn1C
InChIInChI=1S/C19H25N5O3S/c1-22-8-7-20-19(22)28-14-18(26)23(2)13-17(25)21-15-3-5-16(6-4-15)24-9-11-27-12-10-24/h3-8H,9-14H2,1-2H3,(H,21,25)
InChIKeyQRLPYCJMCQRKDM-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.45
Rot. Bonds7

About 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 9200812) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID9200812
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccn1C
InChIInChI=1S/C19H25N5O3S/c1-22-8-7-20-19(22)28-14-18(26)23(2)13-17(25)21-15-3-5-16(6-4-15)24-9-11-27-12-10-24/h3-8H,9-14H2,1-2H3,(H,21,25)
InChIKeyQRLPYCJMCQRKDM-UHFFFAOYSA-N
XLogP1.45
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55328741
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 17447356
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886433
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55328599
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 134048488
2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 133447108
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 9200812) is 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccn1C.
What is the InChIKey of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is QRLPYCJMCQRKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-22-8-7-20-19(22)28-14-18(26)23(2)13-17(25)21-15-3-5-16(6-4-15)24-9-11-27-12-10-24/h3-8H,9-14H2,1-2H3,(H,21,25).
What are the key properties of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 9200812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).