1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea

C19H24N4O3S — CID 54583450

IUPAC1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea
SMILESCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCc2ccccc21
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)22-18(24)23-27(25,26)17-12-20-11-10-16(17)21-15-9-8-13-6-4-5-7-14(13)15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,21)(H2,22,23,24)
InChIKeyGHEZILJZCGFHBE-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.97
Rot. Bonds4

About 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea

1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea (PubChem CID 54583450) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea
PubChem CID54583450
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea
SMILESCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCc2ccccc21
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)22-18(24)23-27(25,26)17-12-20-11-10-16(17)21-15-9-8-13-6-4-5-7-14(13)15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,21)(H2,22,23,24)
InChIKeyGHEZILJZCGFHBE-UHFFFAOYSA-N
XLogP2.97
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea?
The IUPAC name of 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea (CID 54583450) is 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea?
The canonical SMILES for 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea is CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCc2ccccc21.
What is the InChIKey of 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea?
The InChIKey is GHEZILJZCGFHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-19(2,3)22-18(24)23-27(25,26)17-12-20-11-10-16(17)21-15-9-8-13-6-4-5-7-14(13)15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,21)(H2,22,23,24).
What are the key properties of 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea?
1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea has a molecular weight of 388.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[4-(2,3-dihydro-1H-inden-1-ylamino)-3-pyridinyl]sulfonyl]urea is sourced from PubChem (CID 54583450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).