N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide

C14H17ClN2O3S3 — CID 55909310

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17ClN2O3S3/c1-3-17(9-11-6-7-12(15)22-11)14(18)10(2)16-23(19,20)13-5-4-8-21-13/h4-8,10,16H,3,9H2,1-2H3
InChIKeyDFNVRCUJNCZJDP-UHFFFAOYSA-N
MW392.96 g/mol
LogP3.18
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 55909310) has the molecular formula C14H17ClN2O3S3 and a molecular weight of 392.96 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID55909310
Molecular FormulaC14H17ClN2O3S3
Molecular Weight392.96 g/mol
Exact Mass392.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17ClN2O3S3/c1-3-17(9-11-6-7-12(15)22-11)14(18)10(2)16-23(19,20)13-5-4-8-21-13/h4-8,10,16H,3,9H2,1-2H3
InChIKeyDFNVRCUJNCZJDP-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide
CID 55937345
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 51314164
2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119200841
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
4-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]butanoic acid
CID 119173398
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120886821
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 55909310) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide is CCN(Cc1ccc(Cl)s1)C(=O)C(C)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is DFNVRCUJNCZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S3/c1-3-17(9-11-6-7-12(15)22-11)14(18)10(2)16-23(19,20)13-5-4-8-21-13/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 392.96 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55909310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).