N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide

C10H16N2O3S2 — CID 36905667

IUPACN-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
SMILESCS(=O)(=O)NCCNC(=O)CCc1ccsc1
InChIInChI=1S/C10H16N2O3S2/c1-17(14,15)12-6-5-11-10(13)3-2-9-4-7-16-8-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyYYQHCOHBKNICLQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.35
Rot. Bonds7

About N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide

N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide (PubChem CID 36905667) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
PubChem CID36905667
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
SMILESCS(=O)(=O)NCCNC(=O)CCc1ccsc1
InChIInChI=1S/C10H16N2O3S2/c1-17(14,15)12-6-5-11-10(13)3-2-9-4-7-16-8-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyYYQHCOHBKNICLQ-UHFFFAOYSA-N
XLogP0.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
CID 18118510
3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide
CID 43546334
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 47036203
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 17436142
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
CID 113409977
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 39540383

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide (CID 36905667) is N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide is CS(=O)(=O)NCCNC(=O)CCc1ccsc1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is YYQHCOHBKNICLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-17(14,15)12-6-5-11-10(13)3-2-9-4-7-16-8-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide?
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 36905667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).