N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide

C20H21N3O2S2 — CID 47502733

IUPACN-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C20H21N3O2S2/c1-25-18-6-4-16(5-7-18)22-10-9-21-20(22)27-14-19(24)23(17-2-3-17)12-15-8-11-26-13-15/h4-11,13,17H,2-3,12,14H2,1H3
InChIKeyGONSCGFQKIAXRP-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.23
Rot. Bonds8

About N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide

N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 47502733) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID47502733
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC NameN-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C20H21N3O2S2/c1-25-18-6-4-16(5-7-18)22-10-9-21-20(22)27-14-19(24)23(17-2-3-17)12-15-8-11-26-13-15/h4-11,13,17H,2-3,12,14H2,1H3
InChIKeyGONSCGFQKIAXRP-UHFFFAOYSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 40669987
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17482656
N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 41473322
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 24623082
N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide
CID 51095235
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 60607693
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 18163998
methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 46517108
4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 9020841
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34588880
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62036851

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide (CID 47502733) is N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide is COc1ccc(-n2ccnc2SCC(=O)N(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is GONSCGFQKIAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-25-18-6-4-16(5-7-18)22-10-9-21-20(22)27-14-19(24)23(17-2-3-17)12-15-8-11-26-13-15/h4-11,13,17H,2-3,12,14H2,1H3.
What are the key properties of N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 47502733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).