N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide

C17H27N3O4S — CID 20629712

IUPACN-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-13(21)19-14-8-7-9-15(12-14)20-16(22)10-5-6-11-18-25(23,24)17(2,3)4/h7-9,12,18H,5-6,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyBBMYOYZSABYUGE-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.47
Rot. Bonds8

About N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide

N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide (PubChem CID 20629712) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
PubChem CID20629712
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-13(21)19-14-8-7-9-15(12-14)20-16(22)10-5-6-11-18-25(23,24)17(2,3)4/h7-9,12,18H,5-6,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyBBMYOYZSABYUGE-UHFFFAOYSA-N
XLogP2.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
CID 20630752
5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
CID 20629897
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
5-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 20630720
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-(3-phenylphenyl)-5-(sulfamoylamino)pentanamide
CID 44591286
5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide
CID 20629430
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide (CID 20629712) is N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide is CC(=O)Nc1cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide?
The InChIKey is BBMYOYZSABYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(21)19-14-8-7-9-15(12-14)20-16(22)10-5-6-11-18-25(23,24)17(2,3)4/h7-9,12,18H,5-6,10-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide?
N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide has a molecular weight of 369.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide is sourced from PubChem (CID 20629712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).