2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide

C21H24N4OS — CID 42883944

IUPAC2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(Sc1nccn1Cc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N4OS/c1-16(20(26)23-18-9-11-19(12-10-18)24(2)3)27-21-22-13-14-25(21)15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,23,26)
InChIKeyQRMLNTSDZKWLSE-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.12
Rot. Bonds7

About 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide

2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 42883944) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID42883944
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(Sc1nccn1Cc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N4OS/c1-16(20(26)23-18-9-11-19(12-10-18)24(2)3)27-21-22-13-14-25(21)15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,23,26)
InChIKeyQRMLNTSDZKWLSE-UHFFFAOYSA-N
XLogP4.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1-benzylimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25339313
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 17408261
(2R)-N-[4-(dimethylamino)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2622659
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 16587948
(2S)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 1151556
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42989782
(2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 40529199
(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
(2R)-N-[4-(dimethylamino)phenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 25409442
(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 41434046
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
CID 46568943

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide (CID 42883944) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide is CC(Sc1nccn1Cc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is QRMLNTSDZKWLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-16(20(26)23-18-9-11-19(12-10-18)24(2)3)27-21-22-13-14-25(21)15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,23,26).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 380.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 42883944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).