2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide

C12H17N3O3S — CID 61274882

IUPAC2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)CNC2CC2)c1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-11-4-2-3-10(7-11)14-12(16)8-13-9-5-6-9/h2-4,7,9,13,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyBLHXOKMCQUHIOO-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.75
Rot. Bonds6

About 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide

2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide (PubChem CID 61274882) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
PubChem CID61274882
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)CNC2CC2)c1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-11-4-2-3-10(7-11)14-12(16)8-13-9-5-6-9/h2-4,7,9,13,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyBLHXOKMCQUHIOO-UHFFFAOYSA-N
XLogP0.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
CID 60843404
2-(cyclopropylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 54924233
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
CID 22406117
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
CID 166185447
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 60945147
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
2-(cyclopropylamino)-N-naphthalen-2-ylacetamide
CID 54917835
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide (CID 61274882) is 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cccc(NC(=O)CNC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide?
The InChIKey is BLHXOKMCQUHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-19(17,18)15-11-4-2-3-10(7-11)14-12(16)8-13-9-5-6-9/h2-4,7,9,13,15H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide?
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 61274882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).