4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide

C22H24N2O4S2 — CID 53282991

IUPAC4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C22H24N2O4S2/c1-16(2)28-20-7-4-6-17(14-20)15-23-22(25)18-9-11-19(12-10-18)24(3)30(26,27)21-8-5-13-29-21/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyKVDJSWQLEKALPW-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.29
Rot. Bonds8

About 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 53282991) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID53282991
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C22H24N2O4S2/c1-16(2)28-20-7-4-6-17(14-20)15-23-22(25)18-9-11-19(12-10-18)24(3)30(26,27)21-8-5-13-29-21/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyKVDJSWQLEKALPW-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 172658894
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 49336502
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide (CID 53282991) is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide is CC(C)Oc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is KVDJSWQLEKALPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-16(2)28-20-7-4-6-17(14-20)15-23-22(25)18-9-11-19(12-10-18)24(3)30(26,27)21-8-5-13-29-21/h4-14,16H,15H2,1-3H3,(H,23,25).
What are the key properties of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 53282991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).