N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide

C12H17NO3S2 — CID 71973048

IUPACN-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17NO3S2/c14-12(6-5-10-7-8-17-9-10)13-18(15,16)11-3-1-2-4-11/h7-9,11H,1-6H2,(H,13,14)
InChIKeyCDEVLSGXMULIAW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.07
Rot. Bonds5

About N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide

N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide (PubChem CID 71973048) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide
PubChem CID71973048
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC NameN-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17NO3S2/c14-12(6-5-10-7-8-17-9-10)13-18(15,16)11-3-1-2-4-11/h7-9,11H,1-6H2,(H,13,14)
InChIKeyCDEVLSGXMULIAW-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propylsulfonyl-3-thiophen-3-ylpropanamide
CID 71859563
N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974767
N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974832
2,3-Dihydro-2-n-propylthieno[2,3-b]thiophene-2-carboxamide-1,1-dioxide
CID 19759893
2,3-Dihydro-2-methylthieno[2,3-b]thiophene-2-carboxamide-1,1-dioxide
CID 19759896
3-Thiophen-3-ylpropanamide
CID 20389361
Potassium 2-amino-2-oxo-1-thiophen-3-ylethanesulfonate
CID 21329459
4-Thiophen-3-ylbutanamide
CID 57508136
2-Methyl-3-thiophen-3-ylpropanamide
CID 66848464
3-Thiophen-3-ylpropanamide;hydrochloride
CID 69413122
10-Thiophen-3-yldecanamide
CID 141343185
(2R)-2-methyl-3-thiophen-3-ylpropanamide
CID 154461714

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide (CID 71973048) is N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide?
The InChIKey is CDEVLSGXMULIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c14-12(6-5-10-7-8-17-9-10)13-18(15,16)11-3-1-2-4-11/h7-9,11H,1-6H2,(H,13,14).
What are the key properties of N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide?
N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide has a molecular weight of 287.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 71973048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).