4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

C19H23N3O5S — CID 108540785

IUPAC4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-28(25,26)22-16-9-7-15(8-10-16)19(24)21-13-12-20-18(23)11-14-27-17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyREVLQNHOSYRGHA-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.37
Rot. Bonds10

About 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (PubChem CID 108540785) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
PubChem CID108540785
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-28(25,26)22-16-9-7-15(8-10-16)19(24)21-13-12-20-18(23)11-14-27-17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyREVLQNHOSYRGHA-UHFFFAOYSA-N
XLogP1.37
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
CID 108540814
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
CID 108540776

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (CID 108540785) is 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The InChIKey is REVLQNHOSYRGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-28(25,26)22-16-9-7-15(8-10-16)19(24)21-13-12-20-18(23)11-14-27-17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.37, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is sourced from PubChem (CID 108540785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).