N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide

C26H28N4O3S — CID 20754992

IUPACN-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(Nc4ncccc4NC(=O)C4CC4)cc32)cc1
InChIInChI=1S/C26H28N4O3S/c1-2-17-5-12-21(13-6-17)34(32,33)30-23-14-10-18-9-11-20(16-22(18)23)28-25-24(4-3-15-27-25)29-26(31)19-7-8-19/h3-6,9,11-13,15-16,19,23,30H,2,7-8,10,14H2,1H3,(H,27,28)(H,29,31)
InChIKeyPOUOEWZGDFPWDM-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.70
Rot. Bonds8

About N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide

N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 20754992) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID20754992
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(Nc4ncccc4NC(=O)C4CC4)cc32)cc1
InChIInChI=1S/C26H28N4O3S/c1-2-17-5-12-21(13-6-17)34(32,33)30-23-14-10-18-9-11-20(16-22(18)23)28-25-24(4-3-15-27-25)29-26(31)19-7-8-19/h3-6,9,11-13,15-16,19,23,30H,2,7-8,10,14H2,1H3,(H,27,28)(H,29,31)
InChIKeyPOUOEWZGDFPWDM-UHFFFAOYSA-N
XLogP4.70
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]benzamide
CID 20754953
2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 20754941
2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 20754932
2-[[3-[(3,4-dichlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 20754911
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide
CID 20760086
N-benzyl-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenylpropanamide
CID 20760113
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide
CID 20760089
3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 20760053
N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 44574214
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide (CID 20754992) is N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide is CCc1ccc(S(=O)(=O)NC2CCc3ccc(Nc4ncccc4NC(=O)C4CC4)cc32)cc1.
What is the InChIKey of N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is POUOEWZGDFPWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-2-17-5-12-21(13-6-17)34(32,33)30-23-14-10-18-9-11-20(16-22(18)23)28-25-24(4-3-15-27-25)29-26(31)19-7-8-19/h3-6,9,11-13,15-16,19,23,30H,2,7-8,10,14H2,1H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide?
N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 20754992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).