CID 59752348

C24H30N2O3S+ — CID 59752348

IUPAC—
SMILESCC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CC[NH+]CC2)CC1
InChIInChI=1S/C24H30N2O3S/c1-16-7-9-18(10-8-16)23(27)26(19-11-13-25-14-12-19)20-15-21(30-22(20)24(28)29)17-5-3-2-4-6-17/h2-6,15-16,18-19,25H,7-14H2,1H3,(H,28,29)/q+1
InChIKeyVSQOYOIMIBMWIE-UHFFFAOYSA-N
MW426.58 g/mol
LogP3.78
Rot. Bonds5

About CID 59752348

CID 59752348 (PubChem CID 59752348) has the molecular formula C24H30N2O3S+ and a molecular weight of 426.58 g/mol.

Molecular Properties

Compound NameCID 59752348
PubChem CID59752348
Molecular FormulaC24H30N2O3S+
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name—
SMILESCC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CC[NH+]CC2)CC1
InChIInChI=1S/C24H30N2O3S/c1-16-7-9-18(10-8-16)23(27)26(19-11-13-25-14-12-19)20-15-21(30-22(20)24(28)29)17-5-3-2-4-6-17/h2-6,15-16,18-19,25H,7-14H2,1H3,(H,28,29)/q+1
InChIKeyVSQOYOIMIBMWIE-UHFFFAOYSA-N
XLogP3.78
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylcyclohexanecarbonyl)-(1-phenylpiperidin-1-ium-4-yl)amino]-5-phenylthiophene-2-carboxylic acid chloride
CID 142679198
CID 58664441
CID 58664441
3-[[4-(hydroxymethylimino)cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 71080399
5-(3-fluorophenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid;hydrochloride
CID 10005962
3-[1,4-dioxan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 58664427
N-(2-acetyl-5-phenylthiophen-3-yl)-N-(1,1-dioxothian-4-yl)-4-methylcyclohexane-1-carboxamide
CID 59752385
methyl 3-[(1-acetylpiperidin-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752293
methyl 3-[(4-methylcyclohexanecarbonyl)-(thian-4-yl)amino]-5-phenylthiophene-2-carboxylate
CID 59752302
3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid
CID 503536
5-(4-methoxyphenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-1-ium-4-yl)amino]thiophene-2-carboxylic acid
CID 59752311
methyl 3-[(4-methylcyclohexanecarbonyl)-(4-methylidenecyclohexyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752338
3-[(4-methylcyclohexanecarbonyl)-(piperidin-1-ium-4-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 22496326

Frequently Asked Questions

What is the IUPAC name of CID 59752348?
The IUPAC name of CID 59752348 (CID 59752348) is not available.
What is the SMILES notation for CID 59752348?
The canonical SMILES for CID 59752348 is CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CC[NH+]CC2)CC1.
What is the InChIKey of CID 59752348?
The InChIKey is VSQOYOIMIBMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-16-7-9-18(10-8-16)23(27)26(19-11-13-25-14-12-19)20-15-21(30-22(20)24(28)29)17-5-3-2-4-6-17/h2-6,15-16,18-19,25H,7-14H2,1H3,(H,28,29)/q+1.
What are the key properties of CID 59752348?
CID 59752348 has a molecular weight of 426.58 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59752348 is sourced from PubChem (CID 59752348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).