N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C10H13ClN2O3S2 — CID 115636829

IUPACN-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESC=C(Cl)CNC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C10H13ClN2O3S2/c1-8(11)7-12-9(14)4-5-13-18(15,16)10-3-2-6-17-10/h2-3,6,13H,1,4-5,7H2,(H,12,14)
InChIKeyAEMMGSRQAQNTHL-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.29
Rot. Bonds7

About N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 115636829) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID115636829
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC NameN-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESC=C(Cl)CNC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C10H13ClN2O3S2/c1-8(11)7-12-9(14)4-5-13-18(15,16)10-3-2-6-17-10/h2-3,6,13H,1,4-5,7H2,(H,12,14)
InChIKeyAEMMGSRQAQNTHL-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
3-methyl-4-[3-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 81065023
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 114550202
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 115636829) is N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide is C=C(Cl)CNC(=O)CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is AEMMGSRQAQNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c1-8(11)7-12-9(14)4-5-13-18(15,16)10-3-2-6-17-10/h2-3,6,13H,1,4-5,7H2,(H,12,14).
What are the key properties of N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 308.81 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 115636829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).