N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide

C17H29N3O3S — CID 70939605

IUPACN-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C17H29N3O3S/c1-14(2)24(22,23)19-13-7-5-6-12-18-16-8-10-17(11-9-16)20(4)15(3)21/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyQVZNFXKKUOPZPN-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.58
Rot. Bonds10

About N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide

N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide (PubChem CID 70939605) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
PubChem CID70939605
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C17H29N3O3S/c1-14(2)24(22,23)19-13-7-5-6-12-18-16-8-10-17(11-9-16)20(4)15(3)21/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyQVZNFXKKUOPZPN-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide (CID 70939605) is N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide is CC(=O)N(C)c1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
The InChIKey is QVZNFXKKUOPZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-14(2)24(22,23)19-13-7-5-6-12-18-16-8-10-17(11-9-16)20(4)15(3)21/h8-11,14,18-19H,5-7,12-13H2,1-4H3.
What are the key properties of N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide has a molecular weight of 355.50 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide is sourced from PubChem (CID 70939605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).