N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide

C16H26N2O3S — CID 60553986

IUPACN-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-6-18(7-2)15-10-8-14(9-11-15)17-16(19)13(5)22(20,21)12(3)4/h8-13H,6-7H2,1-5H3,(H,17,19)
InChIKeyDRCBEUUFGPTWQG-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.68
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide

N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 60553986) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID60553986
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-6-18(7-2)15-10-8-14(9-11-15)17-16(19)13(5)22(20,21)12(3)4/h8-13H,6-7H2,1-5H3,(H,17,19)
InChIKeyDRCBEUUFGPTWQG-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60886177
(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
N-[4-(dipropylamino)phenyl]-2-methylpropanamide
CID 112985613
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
ethyl N-[1-[4-(diethylamino)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46427219
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide (CID 60553986) is N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide is CCN(CC)c1ccc(NC(=O)C(C)S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is DRCBEUUFGPTWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-18(7-2)15-10-8-14(9-11-15)17-16(19)13(5)22(20,21)12(3)4/h8-13H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide?
N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 326.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 60553986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).