N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C17H23N5O2S — CID 46996074

IUPACN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCCOc1cccc(CN(C(=O)CCSc2nnnn2C)C2CC2)c1
InChIInChI=1S/C17H23N5O2S/c1-3-24-15-6-4-5-13(11-15)12-22(14-7-8-14)16(23)9-10-25-17-18-19-20-21(17)2/h4-6,11,14H,3,7-10,12H2,1-2H3
InChIKeyVFMPBBGEFPFSSW-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.28
Rot. Bonds9

About N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 46996074) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID46996074
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCCOc1cccc(CN(C(=O)CCSc2nnnn2C)C2CC2)c1
InChIInChI=1S/C17H23N5O2S/c1-3-24-15-6-4-5-13(11-15)12-22(14-7-8-14)16(23)9-10-25-17-18-19-20-21(17)2/h4-6,11,14H,3,7-10,12H2,1-2H3
InChIKeyVFMPBBGEFPFSSW-UHFFFAOYSA-N
XLogP2.28
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(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

1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea
CID 119065491
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435
3-[3-(1-methyltetrazol-5-yl)sulfanylpropoxy]benzoic acid
CID 63099785
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 46985229
(4-ethoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7449437
3-(1-methyltetrazol-5-yl)sulfanyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 46986614
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 126442915
N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55910481
3-[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]prop-2-enoic acid
CID 76908825
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-(1-methyltetrazol-5-yl)sulfanyl-N-propylpropanamide
CID 119040477
[3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate
CID 42811412

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 46996074) is N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is CCOc1cccc(CN(C(=O)CCSc2nnnn2C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is VFMPBBGEFPFSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-3-24-15-6-4-5-13(11-15)12-22(14-7-8-14)16(23)9-10-25-17-18-19-20-21(17)2/h4-6,11,14H,3,7-10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 361.47 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 46996074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).