3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide

C16H25N3O4S — CID 55924438

IUPAC3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25N3O4S/c1-4-10-17-15(20)9-11-18-16(21)19-12(2)13-5-7-14(8-6-13)24(3,22)23/h5-8,12H,4,9-11H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyADPAYLQIVBKKDM-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.37
Rot. Bonds8

About 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide

3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide (PubChem CID 55924438) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide
PubChem CID55924438
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25N3O4S/c1-4-10-17-15(20)9-11-18-16(21)19-12(2)13-5-7-14(8-6-13)24(3,22)23/h5-8,12H,4,9-11H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyADPAYLQIVBKKDM-UHFFFAOYSA-N
XLogP1.37
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520681
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520679
3-(1-adamantylcarbamoylamino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 26958401
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 86987230
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
The IUPAC name of 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide (CID 55924438) is 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
The canonical SMILES for 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
The InChIKey is ADPAYLQIVBKKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-4-10-17-15(20)9-11-18-16(21)19-12(2)13-5-7-14(8-6-13)24(3,22)23/h5-8,12H,4,9-11H2,1-3H3,(H,17,20)(H2,18,19,21).
What are the key properties of 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 55924438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).