N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide

C21H25N3O4S — CID 17476145

IUPACN'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NNC(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-8-10-19(11-9-15)29(27,28)24-12-4-7-18(14-24)21(26)23-22-20(25)17-6-3-5-16(2)13-17/h3,5-6,8-11,13,18H,4,7,12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySQFGSCBLRXPEBK-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.17
Rot. Bonds4

About N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide

N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 17476145) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
PubChem CID17476145
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NNC(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-8-10-19(11-9-15)29(27,28)24-12-4-7-18(14-24)21(26)23-22-20(25)17-6-3-5-16(2)13-17/h3,5-6,8-11,13,18H,4,7,12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySQFGSCBLRXPEBK-UHFFFAOYSA-N
XLogP2.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071827
1-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-propan-2-ylthiourea
CID 8729712
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide (CID 17476145) is N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NNC(=O)c3cccc(C)c3)C2)cc1.
What is the InChIKey of N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is SQFGSCBLRXPEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-8-10-19(11-9-15)29(27,28)24-12-4-7-18(14-24)21(26)23-22-20(25)17-6-3-5-16(2)13-17/h3,5-6,8-11,13,18H,4,7,12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 415.52 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 17476145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).