CID 167493484

C28H37N3O5S2 — CID 167493484

IUPAC—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.[H][H]
InChIInChI=1S/C28H35N3O5S2.H2/c1-37(33,34)29-22-8-9-25-24(19-22)28(14-12-27(10-11-27)13-15-28)20-31(25)26(32)21-6-5-7-23(18-21)38(35,36)30-16-3-2-4-17-30;/h5-9,18-19,29H,2-4,10-17,20H2,1H3;1H
InChIKeyQPKUSIXCQSDKBN-UHFFFAOYSA-N
MW559.75 g/mol
LogP4.73
Rot. Bonds5

About CID 167493484

CID 167493484 (PubChem CID 167493484) has the molecular formula C28H37N3O5S2 and a molecular weight of 559.75 g/mol.

Molecular Properties

Compound NameCID 167493484
PubChem CID167493484
Molecular FormulaC28H37N3O5S2
Molecular Weight559.75 g/mol
Exact Mass559.22
IUPAC Name—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.[H][H]
InChIInChI=1S/C28H35N3O5S2.H2/c1-37(33,34)29-22-8-9-25-24(19-22)28(14-12-27(10-11-27)13-15-28)20-31(25)26(32)21-6-5-7-23(18-21)38(35,36)30-16-3-2-4-17-30;/h5-9,18-19,29H,2-4,10-17,20H2,1H3;1H
InChIKeyQPKUSIXCQSDKBN-UHFFFAOYSA-N
XLogP4.73
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.75
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 167493911
CID 167493911
CID 167493685
CID 167493685
CID 167493928
CID 167493928
CID 167493507
CID 167493507
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
(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 167493963
CID 170176354
CID 170176354
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723
N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493680

Frequently Asked Questions

What is the IUPAC name of CID 167493484?
The IUPAC name of CID 167493484 (CID 167493484) is not available.
What is the SMILES notation for CID 167493484?
The canonical SMILES for CID 167493484 is CS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.[H][H].
What is the InChIKey of CID 167493484?
The InChIKey is QPKUSIXCQSDKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5S2.H2/c1-37(33,34)29-22-8-9-25-24(19-22)28(14-12-27(10-11-27)13-15-28)20-31(25)26(32)21-6-5-7-23(18-21)38(35,36)30-16-3-2-4-17-30;/h5-9,18-19,29H,2-4,10-17,20H2,1H3;1H.
What are the key properties of CID 167493484?
CID 167493484 has a molecular weight of 559.75 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493484 is sourced from PubChem (CID 167493484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).