2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C14H17ClN2O3S3 — CID 78794244

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2O3S3/c1-10-6-7-21-11(10)8-16(2)13(18)9-17(3)23(19,20)14-5-4-12(15)22-14/h4-7H,8-9H2,1-3H3
InChIKeyDUGZDOJMFQTFST-UHFFFAOYSA-N
MW392.96 g/mol
LogP3.05
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 78794244) has the molecular formula C14H17ClN2O3S3 and a molecular weight of 392.96 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID78794244
Molecular FormulaC14H17ClN2O3S3
Molecular Weight392.96 g/mol
Exact Mass392.01
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2O3S3/c1-10-6-7-21-11(10)8-16(2)13(18)9-17(3)23(19,20)14-5-4-12(15)22-14/h4-7H,8-9H2,1-3H3
InChIKeyDUGZDOJMFQTFST-UHFFFAOYSA-N
XLogP3.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 31339501
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 78783696
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 134059052
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 78794244) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is DUGZDOJMFQTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S3/c1-10-6-7-21-11(10)8-16(2)13(18)9-17(3)23(19,20)14-5-4-12(15)22-14/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 392.96 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 78794244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).