2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide

C14H17N3O3S — CID 60844819

IUPAC2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
SMILESNCC#Cc1ccccc1S(=O)(=O)NCC(=O)NC1CC1
InChIInChI=1S/C14H17N3O3S/c15-9-3-5-11-4-1-2-6-13(11)21(19,20)16-10-14(18)17-12-7-8-12/h1-2,4,6,12,16H,7-10,15H2,(H,17,18)
InChIKeyQNNBQSZQGDQTMH-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.45
Rot. Bonds5

About 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide

2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide (PubChem CID 60844819) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
PubChem CID60844819
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
SMILESNCC#Cc1ccccc1S(=O)(=O)NCC(=O)NC1CC1
InChIInChI=1S/C14H17N3O3S/c15-9-3-5-11-4-1-2-6-13(11)21(19,20)16-10-14(18)17-12-7-8-12/h1-2,4,6,12,16H,7-10,15H2,(H,17,18)
InChIKeyQNNBQSZQGDQTMH-UHFFFAOYSA-N
XLogP-0.45
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 60845011
4-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863801
5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide
CID 106240784
2-(3-aminoprop-1-ynyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297965
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
2-(3-aminoprop-1-ynyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 60845506
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
CID 60824642
N-cyclopropyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62146294
2-(3-aminoprop-1-ynyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63661457

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide (CID 60844819) is 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide is NCC#Cc1ccccc1S(=O)(=O)NCC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is QNNBQSZQGDQTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-9-3-5-11-4-1-2-6-13(11)21(19,20)16-10-14(18)17-12-7-8-12/h1-2,4,6,12,16H,7-10,15H2,(H,17,18).
What are the key properties of 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 307.38 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 60844819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).