CID 143559102

C28H24N2O — CID 143559102

IUPAC—
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c6c(c7c(c5c4)[CH]7)[CH]6)CC3)ccc2[nH]1
InChIInChI=1S/C28H24N2O/c1-27(2,3)25-11-15-10-17(5-7-24(15)30-25)29-26(31)28(8-9-28)16-4-6-18-19(12-16)21-14-23(21)22-13-20(18)22/h4-7,10-14,30H,8-9H2,1-3H3,(H,29,31)
InChIKeySZVZPOPNYLGUPK-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.12
Rot. Bonds3

About CID 143559102

CID 143559102 (PubChem CID 143559102) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol.

Molecular Properties

Compound NameCID 143559102
PubChem CID143559102
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name—
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c6c(c7c(c5c4)[CH]7)[CH]6)CC3)ccc2[nH]1
InChIInChI=1S/C28H24N2O/c1-27(2,3)25-11-15-10-17(5-7-24(15)30-25)29-26(31)28(8-9-28)16-4-6-18-19(12-16)21-14-23(21)22-13-20(18)22/h4-7,10-14,30H,8-9H2,1-3H3,(H,29,31)
InChIKeySZVZPOPNYLGUPK-UHFFFAOYSA-N
XLogP6.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 143559101
CID 143559101
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
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N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
CID 46199555
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 24762820
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157159685
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946
N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
CID 70890563
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
CID 142886363
5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide
CID 71164182
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(methylideneamino)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59636915
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59129474
tert-butyl N-[2-[5-[[1-(4H-1,3-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate
CID 90730481

Frequently Asked Questions

What is the IUPAC name of CID 143559102?
The IUPAC name of CID 143559102 (CID 143559102) is not available.
What is the SMILES notation for CID 143559102?
The canonical SMILES for CID 143559102 is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c6c(c7c(c5c4)[CH]7)[CH]6)CC3)ccc2[nH]1.
What is the InChIKey of CID 143559102?
The InChIKey is SZVZPOPNYLGUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-27(2,3)25-11-15-10-17(5-7-24(15)30-25)29-26(31)28(8-9-28)16-4-6-18-19(12-16)21-14-23(21)22-13-20(18)22/h4-7,10-14,30H,8-9H2,1-3H3,(H,29,31).
What are the key properties of CID 143559102?
CID 143559102 has a molecular weight of 404.51 g/mol, XLogP of 6.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143559102 is sourced from PubChem (CID 143559102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).