(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide

C15H21N7O2S — CID 94786814

IUPAC(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1cccc(-n2nnnc2SC)c1
InChIInChI=1S/C15H21N7O2S/c1-4-8-16-13(23)10(2)17-14(24)18-11-6-5-7-12(9-11)22-15(25-3)19-20-21-22/h5-7,9-10H,4,8H2,1-3H3,(H,16,23)(H2,17,18,24)/t10-/m0/s1
InChIKeyHTUDZSKHCHCSMG-JTQLQIEISA-N
MW363.45 g/mol
LogP1.42
Rot. Bonds7

About (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide

(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide (PubChem CID 94786814) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
PubChem CID94786814
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1cccc(-n2nnnc2SC)c1
InChIInChI=1S/C15H21N7O2S/c1-4-8-16-13(23)10(2)17-14(24)18-11-6-5-7-12(9-11)22-15(25-3)19-20-21-22/h5-7,9-10H,4,8H2,1-3H3,(H,16,23)(H2,17,18,24)/t10-/m0/s1
InChIKeyHTUDZSKHCHCSMG-JTQLQIEISA-N
XLogP1.42
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 17407700
4-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]butanoic acid
CID 122078184
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea
CID 51946012
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 8977397
N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 56509027
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55609101
1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 166180390
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-heptan-2-ylacetamide
CID 55572394

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide (CID 94786814) is (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)Nc1cccc(-n2nnnc2SC)c1.
What is the InChIKey of (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
The InChIKey is HTUDZSKHCHCSMG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-4-8-16-13(23)10(2)17-14(24)18-11-6-5-7-12(9-11)22-15(25-3)19-20-21-22/h5-7,9-10H,4,8H2,1-3H3,(H,16,23)(H2,17,18,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide has a molecular weight of 363.45 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 94786814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).