2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H25N3O3S2 — CID 8718133

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1cccs1
InChIInChI=1S/C19H25N3O3S2/c1-2-21(14-17-8-6-12-26-17)15-19(23)20-16-7-5-9-18(13-16)27(24,25)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,20,23)
InChIKeyULFMTDJFQOIETI-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.99
Rot. Bonds8

About 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8718133) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID8718133
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1cccs1
InChIInChI=1S/C19H25N3O3S2/c1-2-21(14-17-8-6-12-26-17)15-19(23)20-16-7-5-9-18(13-16)27(24,25)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,20,23)
InChIKeyULFMTDJFQOIETI-UHFFFAOYSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)methyl-ethylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 52682337
2-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55838681
3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 112807048
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8692183
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 26648872
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 8718133) is 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1cccs1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ULFMTDJFQOIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-2-21(14-17-8-6-12-26-17)15-19(23)20-16-7-5-9-18(13-16)27(24,25)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,20,23).
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8718133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).