(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide

C19H26N4O3S — CID 92627242

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1
InChIInChI=1S/C19H26N4O3S/c1-13-7-8-17(12-18(13)27(25,26)22-9-5-6-10-22)20-19(24)16(4)23-15(3)11-14(2)21-23/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,20,24)/t16-/m0/s1
InChIKeyDYYAVVCDBLIRRT-INIZCTEOSA-N
MW390.51 g/mol
LogP2.79
Rot. Bonds5

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 92627242) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID92627242
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1
InChIInChI=1S/C19H26N4O3S/c1-13-7-8-17(12-18(13)27(25,26)22-9-5-6-10-22)20-19(24)16(4)23-15(3)11-14(2)21-23/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,20,24)/t16-/m0/s1
InChIKeyDYYAVVCDBLIRRT-INIZCTEOSA-N
XLogP2.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 119263670
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26760146
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CID 92735719
2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
CID 50745234
3-[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539249
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
(2S)-2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide
CID 25392666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 92627242) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide is Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is DYYAVVCDBLIRRT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-7-8-17(12-18(13)27(25,26)22-9-5-6-10-22)20-19(24)16(4)23-15(3)11-14(2)21-23/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 92627242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).