N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C12H14N2O3S3 — CID 3240953

IUPACN-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1cccs1
InChIInChI=1S/C12H14N2O3S3/c15-11(13-9-10-3-1-7-18-10)5-6-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,14H,5-6,9H2,(H,13,15)
InChIKeyZGVPONIUDJTAKR-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.79
Rot. Bonds7

About N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 3240953) has the molecular formula C12H14N2O3S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID3240953
Molecular FormulaC12H14N2O3S3
Molecular Weight330.46 g/mol
Exact Mass330.02
IUPAC NameN-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1cccs1
InChIInChI=1S/C12H14N2O3S3/c15-11(13-9-10-3-1-7-18-10)5-6-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,14H,5-6,9H2,(H,13,15)
InChIKeyZGVPONIUDJTAKR-UHFFFAOYSA-N
XLogP1.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromothien-2-yl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3242944
N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
N-(thien-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3243911
N1,N2-Bis(thiophen-2-ylmethyl)oxalamide
CID 6421749
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
N~1~-(thien-2-ylmethyl)-N~2~-(thien-2-ylsulfonyl)methioninamide
CID 3244465
N-benzyl-3-[(2-thienylsulfonyl)amino]propanamide
CID 9551483
N-[(4-Methylphenyl)methyl]-3-(thiophene-2-sulfonamido)propanamide
CID 9551485
3-(2-thienyl)-N-(2-thienylmethyl)acrylamide
CID 845127
N1,N4-di(2-thienylmethyl)but-2-enediamide
CID 5713872
N,N'-bis(2-thienylmethyl)hexanediamide
CID 2165960
N-(thien-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3238367

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 3240953) is N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is ZGVPONIUDJTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S3/c15-11(13-9-10-3-1-7-18-10)5-6-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,14H,5-6,9H2,(H,13,15).
What are the key properties of N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 330.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 3240953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).