N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C24H29N3O4S2 — CID 41306631

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(CCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)Cc1ccccc1
InChIInChI=1S/C24H29N3O4S2/c1-26(18-20-8-4-3-5-9-20)16-7-15-25-23(28)19-31-22-13-11-21(12-14-22)27(2)33(29,30)24-10-6-17-32-24/h3-6,8-14,17H,7,15-16,18-19H2,1-2H3,(H,25,28)
InChIKeyPCKOIDGVGCTRAI-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.59
Rot. Bonds12

About N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 41306631) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID41306631
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(CCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)Cc1ccccc1
InChIInChI=1S/C24H29N3O4S2/c1-26(18-20-8-4-3-5-9-20)16-7-15-25-23(28)19-31-22-13-11-21(12-14-22)27(2)33(29,30)24-10-6-17-32-24/h3-6,8-14,17H,7,15-16,18-19H2,1-2H3,(H,25,28)
InChIKeyPCKOIDGVGCTRAI-UHFFFAOYSA-N
XLogP3.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide
CID 27828642
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
[2-(benzylamino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530867
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 25354917
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31217869
N-[(2S)-1-aminopropan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 120506152
N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
N-[4-(carbamoylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 33152745

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 41306631) is N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CN(CCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is PCKOIDGVGCTRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-26(18-20-8-4-3-5-9-20)16-7-15-25-23(28)19-31-22-13-11-21(12-14-22)27(2)33(29,30)24-10-6-17-32-24/h3-6,8-14,17H,7,15-16,18-19H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 487.65 g/mol, XLogP of 3.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 41306631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).