1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea

C15H24N2O3S — CID 163566392

IUPAC1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea
SMILESCCC(C)NC(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-11(2)16-14(18)17-21(19,20)13-9-7-12(8-10-13)15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyFVODXIVYIRQENF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.77
Rot. Bonds4

About 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea

1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea (PubChem CID 163566392) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea
PubChem CID163566392
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea
SMILESCCC(C)NC(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-11(2)16-14(18)17-21(19,20)13-9-7-12(8-10-13)15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyFVODXIVYIRQENF-UHFFFAOYSA-N
XLogP2.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990855
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide
CID 8009528
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
N-[(2S)-butan-2-yl]-5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92880534
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea?
The IUPAC name of 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea (CID 163566392) is 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea.
What is the SMILES notation for 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea?
The canonical SMILES for 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea is CCC(C)NC(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea?
The InChIKey is FVODXIVYIRQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-11(2)16-14(18)17-21(19,20)13-9-7-12(8-10-13)15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea?
1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea has a molecular weight of 312.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea is sourced from PubChem (CID 163566392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).