(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide

C19H26ClN3O3S2 — CID 55938993

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESCCN(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C19H26ClN3O3S2/c1-4-23(5-2)18(15-10-11-27-13-15)12-21-19(24)14(3)22-28(25,26)17-8-6-16(20)7-9-17/h6-11,13-14,18,22H,4-5,12H2,1-3H3,(H,21,24)/t14-,18?/m0/s1
InChIKeyYPXOKOJZVURQBQ-PIVQAISJSA-N
MW444.02 g/mol
LogP3.27
Rot. Bonds10

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide (PubChem CID 55938993) has the molecular formula C19H26ClN3O3S2 and a molecular weight of 444.02 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
PubChem CID55938993
Molecular FormulaC19H26ClN3O3S2
Molecular Weight444.02 g/mol
Exact Mass443.11
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESCCN(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C19H26ClN3O3S2/c1-4-23(5-2)18(15-10-11-27-13-15)12-21-19(24)14(3)22-28(25,26)17-8-6-16(20)7-9-17/h6-11,13-14,18,22H,4-5,12H2,1-3H3,(H,21,24)/t14-,18?/m0/s1
InChIKeyYPXOKOJZVURQBQ-PIVQAISJSA-N
XLogP3.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
CID 55934835
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849739
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 35419885
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide (CID 55938993) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide is CCN(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is YPXOKOJZVURQBQ-PIVQAISJSA-N. The full InChI is InChI=1S/C19H26ClN3O3S2/c1-4-23(5-2)18(15-10-11-27-13-15)12-21-19(24)14(3)22-28(25,26)17-8-6-16(20)7-9-17/h6-11,13-14,18,22H,4-5,12H2,1-3H3,(H,21,24)/t14-,18?/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 444.02 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 55938993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).