(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

C25H27N3O3S2 — CID 41327672

IUPAC(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESC[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O3S2/c1-19(25(29)27-23-13-7-6-12-22(23)20-10-4-2-5-11-20)32-24-15-14-21(18-26-24)33(30,31)28-16-8-3-9-17-28/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyVUDIKTASHPRJDF-IBGZPJMESA-N
MW481.64 g/mol
LogP5.04
Rot. Bonds7

About (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 41327672) has the molecular formula C25H27N3O3S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID41327672
Molecular FormulaC25H27N3O3S2
Molecular Weight481.64 g/mol
Exact Mass481.15
IUPAC Name(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESC[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O3S2/c1-19(25(29)27-23-13-7-6-12-22(23)20-10-4-2-5-11-20)32-24-15-14-21(18-26-24)33(30,31)28-16-8-3-9-17-28/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyVUDIKTASHPRJDF-IBGZPJMESA-N
XLogP5.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 41204626
(2S)-N-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7779790
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561730
(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230
methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoate
CID 42929024
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 41136736
N-(3-fluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625514
N-(2-methoxy-5-methylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 55425018
N-(3,4-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625515

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (CID 41327672) is (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is VUDIKTASHPRJDF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27N3O3S2/c1-19(25(29)27-23-13-7-6-12-22(23)20-10-4-2-5-11-20)32-24-15-14-21(18-26-24)33(30,31)28-16-8-3-9-17-28/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3,(H,27,29)/t19-/m0/s1.
What are the key properties of (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 481.64 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 41327672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).