CID 143559101

C28H28N2O — CID 143559101

IUPAC—
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c6c(c7c(c5c4)[CH]7)[CH]6)CC3)ccc2[nH]1.[H][H].[H][H]
InChIInChI=1S/C28H24N2O.2H2/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);2*1H
InChIKeyRDPPTXDXMKDSBR-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.61
Rot. Bonds3

About CID 143559101

CID 143559101 (PubChem CID 143559101) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol.

Molecular Properties

Compound NameCID 143559101
PubChem CID143559101
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name—
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c6c(c7c(c5c4)[CH]7)[CH]6)CC3)ccc2[nH]1.[H][H].[H][H]
InChIInChI=1S/C28H24N2O.2H2/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);2*1H
InChIKeyRDPPTXDXMKDSBR-UHFFFAOYSA-N
XLogP6.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 143559102
CID 143559102
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
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N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
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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
N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159450367

Frequently Asked Questions

What is the IUPAC name of CID 143559101?
The IUPAC name of CID 143559101 (CID 143559101) is not available.
What is the SMILES notation for CID 143559101?
The canonical SMILES for CID 143559101 is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c6c(c7c(c5c4)[CH]7)[CH]6)CC3)ccc2[nH]1.[H][H].[H][H].
What is the InChIKey of CID 143559101?
The InChIKey is RDPPTXDXMKDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O.2H2/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);2*1H.
What are the key properties of CID 143559101?
CID 143559101 has a molecular weight of 408.55 g/mol, XLogP of 6.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143559101 is sourced from PubChem (CID 143559101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).