N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

C18H24N2O3S2 — CID 55437968

IUPACN-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(CSc2nc(C)cs2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14-12-24-18(20-14)25-13-15-4-6-16(7-5-15)17(21)19-8-3-9-23-11-10-22-2/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,21)
InChIKeySPFVFNYKVDAKIA-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.53
Rot. Bonds11

About N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 55437968) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID55437968
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(CSc2nc(C)cs2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14-12-24-18(20-14)25-13-15-4-6-16(7-5-15)17(21)19-8-3-9-23-11-10-22-2/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,21)
InChIKeySPFVFNYKVDAKIA-UHFFFAOYSA-N
XLogP3.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
N-[(2R)-1-methoxypropan-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 93237660
N-(3-methoxypropyl)-2-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]acetamide
CID 55429028
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 56578350
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 78796286
N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26899424
N,4-dimethyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzamide
CID 46439270
methyl 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate
CID 78779871

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 55437968) is N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is COCCOCCCNC(=O)c1ccc(CSc2nc(C)cs2)cc1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is SPFVFNYKVDAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-14-12-24-18(20-14)25-13-15-4-6-16(7-5-15)17(21)19-8-3-9-23-11-10-22-2/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 380.54 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 55437968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).