N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide

C30H30N4O3S — CID 20760086

IUPACN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCc4ccccc4)c4cnccn4)cc32)cc1
InChIInChI=1S/C30H30N4O3S/c1-2-22-8-14-26(15-9-22)38(36,37)33-28-16-12-24-11-13-25(20-27(24)28)34(29-21-31-18-19-32-29)30(35)17-10-23-6-4-3-5-7-23/h3-9,11,13-15,18-21,28,33H,2,10,12,16-17H2,1H3
InChIKeyGNVQMVRBWLZEMT-UHFFFAOYSA-N
MW526.66 g/mol
LogP5.30
Rot. Bonds9

About N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide

N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide (PubChem CID 20760086) has the molecular formula C30H30N4O3S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide
PubChem CID20760086
Molecular FormulaC30H30N4O3S
Molecular Weight526.66 g/mol
Exact Mass526.20
IUPAC NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCc4ccccc4)c4cnccn4)cc32)cc1
InChIInChI=1S/C30H30N4O3S/c1-2-22-8-14-26(15-9-22)38(36,37)33-28-16-12-24-11-13-25(20-27(24)28)34(29-21-31-18-19-32-29)30(35)17-10-23-6-4-3-5-7-23/h3-9,11,13-15,18-21,28,33H,2,10,12,16-17H2,1H3
InChIKeyGNVQMVRBWLZEMT-UHFFFAOYSA-N
XLogP5.30
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide?
The IUPAC name of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide (CID 20760086) is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide is CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCc4ccccc4)c4cnccn4)cc32)cc1.
What is the InChIKey of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide?
The InChIKey is GNVQMVRBWLZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3S/c1-2-22-8-14-26(15-9-22)38(36,37)33-28-16-12-24-11-13-25(20-27(24)28)34(29-21-31-18-19-32-29)30(35)17-10-23-6-4-3-5-7-23/h3-9,11,13-15,18-21,28,33H,2,10,12,16-17H2,1H3.
What are the key properties of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide?
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide has a molecular weight of 526.66 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 20760086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).