N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H19NO2S3 — CID 129355139

IUPACN-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H19NO2S3/c21-25(22,17-8-7-14-4-1-2-5-15(14)12-17)20-19(16-9-11-23-13-16)18-6-3-10-24-18/h3,6-13,19-20H,1-2,4-5H2/t19-/m0/s1
InChIKeyUGATYOUHOKGDAN-IBGZPJMESA-N
MW389.57 g/mol
LogP4.76
Rot. Bonds5

About N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 129355139) has the molecular formula C19H19NO2S3 and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID129355139
Molecular FormulaC19H19NO2S3
Molecular Weight389.57 g/mol
Exact Mass389.06
IUPAC NameN-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H19NO2S3/c21-25(22,17-8-7-14-4-1-2-5-15(14)12-17)20-19(16-9-11-23-13-16)18-6-3-10-24-18/h3,6-13,19-20H,1-2,4-5H2/t19-/m0/s1
InChIKeyUGATYOUHOKGDAN-IBGZPJMESA-N
XLogP4.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 129357101
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514669
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831
5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide
CID 42955169
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 55798758
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781

Frequently Asked Questions

What is the IUPAC name of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 129355139) is N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is UGATYOUHOKGDAN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO2S3/c21-25(22,17-8-7-14-4-1-2-5-15(14)12-17)20-19(16-9-11-23-13-16)18-6-3-10-24-18/h3,6-13,19-20H,1-2,4-5H2/t19-/m0/s1.
What are the key properties of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 389.57 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 129355139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).