(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

C19H22N6O4S3 — CID 41229890

IUPAC(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N6O4S3/c1-14(31-19-21-22-23-25(19)13-16-5-3-11-30-16)18(26)20-15-4-2-6-17(12-15)32(27,28)24-7-9-29-10-8-24/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,26)/t14-/m1/s1
InChIKeyYJSAOZBRNUKAIC-CQSZACIVSA-N
MW494.62 g/mol
LogP1.92
Rot. Bonds8

About (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 41229890) has the molecular formula C19H22N6O4S3 and a molecular weight of 494.62 g/mol. Its IUPAC name is (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID41229890
Molecular FormulaC19H22N6O4S3
Molecular Weight494.62 g/mol
Exact Mass494.09
IUPAC Name(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N6O4S3/c1-14(31-19-21-22-23-25(19)13-16-5-3-11-30-16)18(26)20-15-4-2-6-17(12-15)32(27,28)24-7-9-29-10-8-24/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,26)/t14-/m1/s1
InChIKeyYJSAOZBRNUKAIC-CQSZACIVSA-N
XLogP1.92
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (CID 41229890) is (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is YJSAOZBRNUKAIC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O4S3/c1-14(31-19-21-22-23-25(19)13-16-5-3-11-30-16)18(26)20-15-4-2-6-17(12-15)32(27,28)24-7-9-29-10-8-24/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,26)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 494.62 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 41229890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).