N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

C17H19Cl2N3OS — CID 47059362

IUPACN-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C17H19Cl2N3OS/c1-11(24-15-9-12(18)3-6-14(15)19)17(23)22(13-4-5-13)10-16-20-7-8-21(16)2/h3,6-9,11,13H,4-5,10H2,1-2H3
InChIKeyOQVVWXJXRFBCTO-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.40
Rot. Bonds6

About N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 47059362) has the molecular formula C17H19Cl2N3OS and a molecular weight of 384.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID47059362
Molecular FormulaC17H19Cl2N3OS
Molecular Weight384.33 g/mol
Exact Mass383.06
IUPAC NameN-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C17H19Cl2N3OS/c1-11(24-15-9-12(18)3-6-14(15)19)17(23)22(13-4-5-13)10-16-20-7-8-21(16)2/h3,6-9,11,13H,4-5,10H2,1-2H3
InChIKeyOQVVWXJXRFBCTO-UHFFFAOYSA-N
XLogP4.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 54871592
(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 94600634
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 94801050
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 94472080
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290167
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 47059362) is N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)N(Cc1nccn1C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is OQVVWXJXRFBCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3OS/c1-11(24-15-9-12(18)3-6-14(15)19)17(23)22(13-4-5-13)10-16-20-7-8-21(16)2/h3,6-9,11,13H,4-5,10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 384.33 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 47059362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).