CID 167493672

C28H34N2O3S — CID 167493672

IUPAC—
SMILESCc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)C2)c1
InChIInChI=1S/C28H34N2O3S/c1-20-6-7-25-24(16-20)28(13-11-27(9-10-27)12-14-28)19-30(25)26(31)22-4-3-5-23(17-22)34(32,33)29-15-8-21(2)18-29/h3-7,16-17,21H,8-15,18-19H2,1-2H3/t21-/m0/s1
InChIKeyHATXXJFWYGMPIM-NRFANRHFSA-N
MW478.66 g/mol
LogP5.28
Rot. Bonds3

About CID 167493672

CID 167493672 (PubChem CID 167493672) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol.

Molecular Properties

Compound NameCID 167493672
PubChem CID167493672
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC Name—
SMILESCc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)C2)c1
InChIInChI=1S/C28H34N2O3S/c1-20-6-7-25-24(16-20)28(13-11-27(9-10-27)12-14-28)19-30(25)26(31)22-4-3-5-23(17-22)34(32,33)29-15-8-21(2)18-29/h3-7,16-17,21H,8-15,18-19H2,1-2H3/t21-/m0/s1
InChIKeyHATXXJFWYGMPIM-NRFANRHFSA-N
XLogP5.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 167493928
CID 167493928
CID 167494089
CID 167494089
(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 167493963
CID 167493484
CID 167493484
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
CID 168726712
CID 168726712
CID 167493625
CID 167493625
CID 167493617
CID 167493617
CID 167493685
CID 167493685
CID 167493507
CID 167493507
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

Frequently Asked Questions

What is the IUPAC name of CID 167493672?
The IUPAC name of CID 167493672 (CID 167493672) is not available.
What is the SMILES notation for CID 167493672?
The canonical SMILES for CID 167493672 is Cc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)N2CC[C@H](C)C2)c1.
What is the InChIKey of CID 167493672?
The InChIKey is HATXXJFWYGMPIM-NRFANRHFSA-N. The full InChI is InChI=1S/C28H34N2O3S/c1-20-6-7-25-24(16-20)28(13-11-27(9-10-27)12-14-28)19-30(25)26(31)22-4-3-5-23(17-22)34(32,33)29-15-8-21(2)18-29/h3-7,16-17,21H,8-15,18-19H2,1-2H3/t21-/m0/s1.
What are the key properties of CID 167493672?
CID 167493672 has a molecular weight of 478.66 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493672 is sourced from PubChem (CID 167493672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).