N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C19H27N3O3S2 — CID 55656034

IUPACN-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCN(CC)C(C)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H27N3O3S2/c1-4-22(5-2)15(3)14-20-18(23)13-16-8-10-17(11-9-16)21-27(24,25)19-7-6-12-26-19/h6-12,15,21H,4-5,13-14H2,1-3H3,(H,20,23)
InChIKeyBNFBYSHYGVNDEK-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.94
Rot. Bonds10

About N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 55656034) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID55656034
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC NameN-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCN(CC)C(C)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H27N3O3S2/c1-4-22(5-2)15(3)14-20-18(23)13-16-8-10-17(11-9-16)21-27(24,25)19-7-6-12-26-19/h6-12,15,21H,4-5,13-14H2,1-3H3,(H,20,23)
InChIKeyBNFBYSHYGVNDEK-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55694978
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55693970
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46440676
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 55656034) is N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is CCN(CC)C(C)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is BNFBYSHYGVNDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-4-22(5-2)15(3)14-20-18(23)13-16-8-10-17(11-9-16)21-27(24,25)19-7-6-12-26-19/h6-12,15,21H,4-5,13-14H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 409.58 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 55656034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).