N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide

C26H29N3O5S — CID 18435536

IUPACN-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCCCCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)CNC(C)=O
InChIInChI=1S/C26H29N3O5S/c1-3-4-9-24(25(31)17-27-18(2)30)28-26(32)20-10-13-22(14-11-20)29-35(33,34)23-15-12-19-7-5-6-8-21(19)16-23/h5-8,10-16,24,29H,3-4,9,17H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyBXIPERJNANHOLX-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.63
Rot. Bonds11

About N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide

N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 18435536) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID18435536
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCCCCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)CNC(C)=O
InChIInChI=1S/C26H29N3O5S/c1-3-4-9-24(25(31)17-27-18(2)30)28-26(32)20-10-13-22(14-11-20)29-35(33,34)23-15-12-19-7-5-6-8-21(19)16-23/h5-8,10-16,24,29H,3-4,9,17H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyBXIPERJNANHOLX-UHFFFAOYSA-N
XLogP3.63
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide
CID 70158027
2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 7042185
N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 34837601
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide
CID 16961056
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide (CID 18435536) is N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide is CCCCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)CNC(C)=O.
What is the InChIKey of N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is BXIPERJNANHOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-3-4-9-24(25(31)17-27-18(2)30)28-26(32)20-10-13-22(14-11-20)29-35(33,34)23-15-12-19-7-5-6-8-21(19)16-23/h5-8,10-16,24,29H,3-4,9,17H2,1-2H3,(H,27,30)(H,28,32).
What are the key properties of N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide?
N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 495.60 g/mol, XLogP of 3.63, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 18435536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).