CID 170176354

C26H33N3O6S2 — CID 170176354

IUPAC—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C26H33N3O6S2/c1-36(31,32)27-19-5-6-21-20(17-19)26(13-11-25(9-10-25)12-14-26)18-29(21)24(30)22-7-8-23(35-22)37(33,34)28-15-3-2-4-16-28/h5-8,17,27H,2-4,9-16,18H2,1H3
InChIKeyPKBZBHKEMXVHMS-UHFFFAOYSA-N
MW547.70 g/mol
LogP4.08
Rot. Bonds5

About CID 170176354

CID 170176354 (PubChem CID 170176354) has the molecular formula C26H33N3O6S2 and a molecular weight of 547.70 g/mol.

Molecular Properties

Compound NameCID 170176354
PubChem CID170176354
Molecular FormulaC26H33N3O6S2
Molecular Weight547.70 g/mol
Exact Mass547.18
IUPAC Name—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C26H33N3O6S2/c1-36(31,32)27-19-5-6-21-20(17-19)26(13-11-25(9-10-25)12-14-26)18-29(21)24(30)22-7-8-23(35-22)37(33,34)28-15-3-2-4-16-28/h5-8,17,27H,2-4,9-16,18H2,1H3
InChIKeyPKBZBHKEMXVHMS-UHFFFAOYSA-N
XLogP4.08
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.70
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 167493769
CID 167493769
CID 167493484
CID 167493484
CID 167493685
CID 167493685
CID 167493945
CID 167493945
CID 167493686
CID 167493686
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
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 55873184
CID 167493928
CID 167493928
CID 167494190
CID 167494190
N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493854
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787

Frequently Asked Questions

What is the IUPAC name of CID 170176354?
The IUPAC name of CID 170176354 (CID 170176354) is not available.
What is the SMILES notation for CID 170176354?
The canonical SMILES for CID 170176354 is CS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of CID 170176354?
The InChIKey is PKBZBHKEMXVHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6S2/c1-36(31,32)27-19-5-6-21-20(17-19)26(13-11-25(9-10-25)12-14-26)18-29(21)24(30)22-7-8-23(35-22)37(33,34)28-15-3-2-4-16-28/h5-8,17,27H,2-4,9-16,18H2,1H3.
What are the key properties of CID 170176354?
CID 170176354 has a molecular weight of 547.70 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170176354 is sourced from PubChem (CID 170176354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).