N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide

C20H26N2O3S2 — CID 55429790

IUPACN-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-21(16-18-6-5-15-26-18)20(23)12-9-17-7-10-19(11-8-17)27(24,25)22-13-3-4-14-22/h5-8,10-11,15H,2-4,9,12-14,16H2,1H3
InChIKeyBQVDQNWUJUSPSN-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.51
Rot. Bonds8

About N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55429790) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55429790
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-21(16-18-6-5-15-26-18)20(23)12-9-17-7-10-19(11-8-17)27(24,25)22-13-3-4-14-22/h5-8,10-11,15H,2-4,9,12-14,16H2,1H3
InChIKeyBQVDQNWUJUSPSN-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55372961
N-ethyl-N-(2-hydroxyethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 78855409
3-[ethyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 119190952
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135715086
N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55559916
2-[4-(azepan-1-ylsulfonyl)anilino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78795390
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
N-[(1-methylpyrrol-2-yl)methyl]-3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91624509
N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43024933

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide (CID 55429790) is N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is BQVDQNWUJUSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-2-21(16-18-6-5-15-26-18)20(23)12-9-17-7-10-19(11-8-17)27(24,25)22-13-3-4-14-22/h5-8,10-11,15H,2-4,9,12-14,16H2,1H3.
What are the key properties of N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 406.57 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55429790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).