N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide

C19H25N3O3S2 — CID 47055897

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCCC1c1ccsc1
InChIInChI=1S/C19H25N3O3S2/c1-14(22-11-2-3-18(22)16-9-12-26-13-16)19(23)21-10-8-15-4-6-17(7-5-15)27(20,24)25/h4-7,9,12-14,18H,2-3,8,10-11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyPKKLOVRVTFARJH-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide

N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide (PubChem CID 47055897) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
PubChem CID47055897
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCCC1c1ccsc1
InChIInChI=1S/C19H25N3O3S2/c1-14(22-11-2-3-18(22)16-9-12-26-13-16)19(23)21-10-8-15-4-6-17(7-5-15)27(20,24)25/h4-7,9,12-14,18H,2-3,8,10-11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyPKKLOVRVTFARJH-UHFFFAOYSA-N
XLogP2.28
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 30721204
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838853
(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032736
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 124736674
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
(2S)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 18778138
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838819
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 40715955
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40985153
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide (CID 47055897) is N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide is CC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCCC1c1ccsc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
The InChIKey is PKKLOVRVTFARJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-14(22-11-2-3-18(22)16-9-12-26-13-16)19(23)21-10-8-15-4-6-17(7-5-15)27(20,24)25/h4-7,9,12-14,18H,2-3,8,10-11H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide has a molecular weight of 407.56 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 47055897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).