N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C19H27N3O4S2 — CID 24982604

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C19H27N3O4S2/c1-4-26-15-7-9-16(10-8-15)28(24,25)21-12-11-19(23)20-14-17(22(2)3)18-6-5-13-27-18/h5-10,13,17,21H,4,11-12,14H2,1-3H3,(H,20,23)
InChIKeyQTDJWGGZCLAGOV-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.23
Rot. Bonds11

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 24982604) has the molecular formula C19H27N3O4S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID24982604
Molecular FormulaC19H27N3O4S2
Molecular Weight425.58 g/mol
Exact Mass425.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C19H27N3O4S2/c1-4-26-15-7-9-16(10-8-15)28(24,25)21-12-11-19(23)20-14-17(22(2)3)18-6-5-13-27-18/h5-10,13,17,21H,4,11-12,14H2,1-3H3,(H,20,23)
InChIKeyQTDJWGGZCLAGOV-UHFFFAOYSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 24982604) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is QTDJWGGZCLAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S2/c1-4-26-15-7-9-16(10-8-15)28(24,25)21-12-11-19(23)20-14-17(22(2)3)18-6-5-13-27-18/h5-10,13,17,21H,4,11-12,14H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 425.58 g/mol, XLogP of 2.23, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24982604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).