3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide

C14H23N3O3S — CID 61276046

IUPAC3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)15-9-8-13(18)16-11-6-5-7-12(10-11)17-21(4,19)20/h5-7,10,15,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyXLOGXEZSFAVONV-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.77
Rot. Bonds6

About 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide

3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide (PubChem CID 61276046) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide
PubChem CID61276046
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)15-9-8-13(18)16-11-6-5-7-12(10-11)17-21(4,19)20/h5-7,10,15,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyXLOGXEZSFAVONV-UHFFFAOYSA-N
XLogP1.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylamino)-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 60849734
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 60849933
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide (CID 61276046) is 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide is CC(C)(C)NCCC(=O)Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide?
The InChIKey is XLOGXEZSFAVONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)15-9-8-13(18)16-11-6-5-7-12(10-11)17-21(4,19)20/h5-7,10,15,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide?
3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 61276046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).