N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C17H22FN3O3S2 — CID 30271860

IUPACN-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCN(C)CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22FN3O3S2/c1-20(2)11-4-10-19-16(22)13-21(15-8-6-14(18)7-9-15)26(23,24)17-5-3-12-25-17/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,19,22)
InChIKeyDCMHHNDWCCBTAS-UHFFFAOYSA-N
MW399.51 g/mol
LogP2.15
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 30271860) has the molecular formula C17H22FN3O3S2 and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID30271860
Molecular FormulaC17H22FN3O3S2
Molecular Weight399.51 g/mol
Exact Mass399.11
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCN(C)CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22FN3O3S2/c1-20(2)11-4-10-19-16(22)13-21(15-8-6-14(18)7-9-15)26(23,24)17-5-3-12-25-17/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,19,22)
InChIKeyDCMHHNDWCCBTAS-UHFFFAOYSA-N
XLogP2.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30268780
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30278205
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30272234
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900479
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275804
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43901770
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 30271860) is N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is CN(C)CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is DCMHHNDWCCBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S2/c1-20(2)11-4-10-19-16(22)13-21(15-8-6-14(18)7-9-15)26(23,24)17-5-3-12-25-17/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 399.51 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30271860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).