(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C18H17N5O3S — CID 7365406

IUPAC(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)Sc1nnnn1C)oc1ccccc12
InChIInChI=1S/C18H17N5O3S/c1-10(27-18-20-21-22-23(18)2)17(24)19-13-9-15-12(8-16(13)25-3)11-6-4-5-7-14(11)26-15/h4-10H,1-3H3,(H,19,24)/t10-/m0/s1
InChIKeyRJATVLAPBSRTME-JTQLQIEISA-N
MW383.43 g/mol
LogP3.24
Rot. Bonds5

About (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 7365406) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID7365406
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)Sc1nnnn1C)oc1ccccc12
InChIInChI=1S/C18H17N5O3S/c1-10(27-18-20-21-22-23(18)2)17(24)19-13-9-15-12(8-16(13)25-3)11-6-4-5-7-14(11)26-15/h4-10H,1-3H3,(H,19,24)/t10-/m0/s1
InChIKeyRJATVLAPBSRTME-JTQLQIEISA-N
XLogP3.24
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide 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

(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7474363
N-(2-methoxydibenzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 4010051
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 40926731
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7737162
N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4518589
(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7668646
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
CID 3926182
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3487570
(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2100142

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 7365406) is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is COc1cc2c(cc1NC(=O)[C@H](C)Sc1nnnn1C)oc1ccccc12.
What is the InChIKey of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is RJATVLAPBSRTME-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-10(27-18-20-21-22-23(18)2)17(24)19-13-9-15-12(8-16(13)25-3)11-6-4-5-7-14(11)26-15/h4-10H,1-3H3,(H,19,24)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 383.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 7365406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).