(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide

C15H23N3O4S — CID 25197502

IUPAC(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)10-4-6-11(7-5-10)23(21,22)18-12(14(17)20)8-9-13(16)19/h4-7,12,18H,8-9H2,1-3H3,(H2,16,19)(H2,17,20)/t12-/m0/s1
InChIKeyIKKKZEAJOGFBOO-LBPRGKRZSA-N
MW341.43 g/mol
LogP0.38
Rot. Bonds7

About (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide

(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide (PubChem CID 25197502) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide.

Molecular Properties

Compound Name(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide
PubChem CID25197502
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)10-4-6-11(7-5-10)23(21,22)18-12(14(17)20)8-9-13(16)19/h4-7,12,18H,8-9H2,1-3H3,(H2,16,19)(H2,17,20)/t12-/m0/s1
InChIKeyIKKKZEAJOGFBOO-LBPRGKRZSA-N
XLogP0.38
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)pentanediamide
CID 71384470
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 131855550
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
CID 9403798
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]octanedioic acid
CID 140522092
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 35767120
2,5-bis[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 135183823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide?
The IUPAC name of (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide (CID 25197502) is (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide.
What is the SMILES notation for (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide?
The canonical SMILES for (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide is CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(N)=O)cc1.
What is the InChIKey of (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide?
The InChIKey is IKKKZEAJOGFBOO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2,3)10-4-6-11(7-5-10)23(21,22)18-12(14(17)20)8-9-13(16)19/h4-7,12,18H,8-9H2,1-3H3,(H2,16,19)(H2,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide?
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide has a molecular weight of 341.43 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide is sourced from PubChem (CID 25197502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).