CID 167493625

C28H34N2O4S — CID 167493625

IUPAC—
SMILESCC(=O)c1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C28H34N2O4S/c1-19(31)20-8-9-24-23(17-20)28(14-12-27(10-11-27)13-15-28)18-30(24)25(32)21-6-5-7-22(16-21)35(33,34)29-26(2,3)4/h5-9,16-17,29H,10-15,18H2,1-4H3
InChIKeyFJEOQQUUDNKWRR-UHFFFAOYSA-N
MW494.66 g/mol
LogP5.22
Rot. Bonds4

About CID 167493625

CID 167493625 (PubChem CID 167493625) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol.

Molecular Properties

Compound NameCID 167493625
PubChem CID167493625
Molecular FormulaC28H34N2O4S
Molecular Weight494.66 g/mol
Exact Mass494.22
IUPAC Name—
SMILESCC(=O)c1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C28H34N2O4S/c1-19(31)20-8-9-24-23(17-20)28(14-12-27(10-11-27)13-15-28)18-30(24)25(32)21-6-5-7-22(16-21)35(33,34)29-26(2,3)4/h5-9,16-17,29H,10-15,18H2,1-4H3
InChIKeyFJEOQQUUDNKWRR-UHFFFAOYSA-N
XLogP5.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745
CID 167493685
CID 167493685
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493854
N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide
CID 167494045
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493928
CID 167493928
CID 167493911
CID 167493911
CID 167494089
CID 167494089
CID 167493724
CID 167493724
CID 167493672
CID 167493672
CID 168726712
CID 168726712

Frequently Asked Questions

What is the IUPAC name of CID 167493625?
The IUPAC name of CID 167493625 (CID 167493625) is not available.
What is the SMILES notation for CID 167493625?
The canonical SMILES for CID 167493625 is CC(=O)c1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of CID 167493625?
The InChIKey is FJEOQQUUDNKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-19(31)20-8-9-24-23(17-20)28(14-12-27(10-11-27)13-15-28)18-30(24)25(32)21-6-5-7-22(16-21)35(33,34)29-26(2,3)4/h5-9,16-17,29H,10-15,18H2,1-4H3.
What are the key properties of CID 167493625?
CID 167493625 has a molecular weight of 494.66 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493625 is sourced from PubChem (CID 167493625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).