CID 167493724

C28H37N3O3S2 — CID 167493724

IUPAC—
SMILESCCC(CC)NS(=O)(=O)c1cccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NSC)ccc32)c1
InChIInChI=1S/C28H37N3O3S2/c1-4-21(5-2)30-36(33,34)23-8-6-7-20(17-23)26(32)31-19-28(15-13-27(11-12-27)14-16-28)24-18-22(29-35-3)9-10-25(24)31/h6-10,17-18,21,29-30H,4-5,11-16,19H2,1-3H3
InChIKeyUFVABJOGVPTLST-UHFFFAOYSA-N
MW527.76 g/mol
LogP6.10
Rot. Bonds8

About CID 167493724

CID 167493724 (PubChem CID 167493724) has the molecular formula C28H37N3O3S2 and a molecular weight of 527.76 g/mol.

Molecular Properties

Compound NameCID 167493724
PubChem CID167493724
Molecular FormulaC28H37N3O3S2
Molecular Weight527.76 g/mol
Exact Mass527.23
IUPAC Name—
SMILESCCC(CC)NS(=O)(=O)c1cccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NSC)ccc32)c1
InChIInChI=1S/C28H37N3O3S2/c1-4-21(5-2)30-36(33,34)23-8-6-7-20(17-23)26(32)31-19-28(15-13-27(11-12-27)14-16-28)24-18-22(29-35-3)9-10-25(24)31/h6-10,17-18,21,29-30H,4-5,11-16,19H2,1-3H3
InChIKeyUFVABJOGVPTLST-UHFFFAOYSA-N
XLogP6.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.76
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 167493685
CID 167493685
CID 167493911
CID 167493911
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493617
CID 167493617
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689
CID 167493625
CID 167493625
CID 167493507
CID 167493507
CID 167493484
CID 167493484
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
CID 167493535
CID 167493535
CID 167493928
CID 167493928

Frequently Asked Questions

What is the IUPAC name of CID 167493724?
The IUPAC name of CID 167493724 (CID 167493724) is not available.
What is the SMILES notation for CID 167493724?
The canonical SMILES for CID 167493724 is CCC(CC)NS(=O)(=O)c1cccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NSC)ccc32)c1.
What is the InChIKey of CID 167493724?
The InChIKey is UFVABJOGVPTLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3S2/c1-4-21(5-2)30-36(33,34)23-8-6-7-20(17-23)26(32)31-19-28(15-13-27(11-12-27)14-16-28)24-18-22(29-35-3)9-10-25(24)31/h6-10,17-18,21,29-30H,4-5,11-16,19H2,1-3H3.
What are the key properties of CID 167493724?
CID 167493724 has a molecular weight of 527.76 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493724 is sourced from PubChem (CID 167493724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).