(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide

C15H18N6O2S — CID 27096067

IUPAC(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C15H18N6O2S/c1-9(24-15-18-19-20-21(15)13-7-8-13)14(23)17-12-5-3-11(4-6-12)16-10(2)22/h3-6,9,13H,7-8H2,1-2H3,(H,16,22)(H,17,23)/t9-/m0/s1
InChIKeyGXABAQADUJKEFL-VIFPVBQESA-N
MW346.42 g/mol
LogP2.09
Rot. Bonds6

About (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide

(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 27096067) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
PubChem CID27096067
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C15H18N6O2S/c1-9(24-15-18-19-20-21(15)13-7-8-13)14(23)17-12-5-3-11(4-6-12)16-10(2)22/h3-6,9,13H,7-8H2,1-2H3,(H,16,22)(H,17,23)/t9-/m0/s1
InChIKeyGXABAQADUJKEFL-VIFPVBQESA-N
XLogP2.09
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-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

(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylsulfonylphenoxy)phenyl]propanamide
CID 97316941
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437973
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,3-dichlorophenyl)propanamide
CID 51245048
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 51244965
(2S)-N-(4-acetamidophenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8723023
N-(2-cyanophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 46642061
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
CID 55993734
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 51258990
N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 24519135
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide (CID 27096067) is (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnnn2C2CC2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is GXABAQADUJKEFL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-9(24-15-18-19-20-21(15)13-7-8-13)14(23)17-12-5-3-11(4-6-12)16-10(2)22/h3-6,9,13H,7-8H2,1-2H3,(H,16,22)(H,17,23)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 346.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 27096067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).