N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide

C17H20N2O4S2 — CID 97204550

IUPACN-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCOc3ccccc3C2)cs1
InChIInChI=1S/C17H20N2O4S2/c1-18-17(20)16-9-14(11-24-16)25(21,22)19-10-12-6-7-23-15-5-3-2-4-13(15)8-12/h2-5,9,11-12,19H,6-8,10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyKFLDUCKFCQKUDO-GFCCVEGCSA-N
MW380.49 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide

N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 97204550) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
PubChem CID97204550
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCOc3ccccc3C2)cs1
InChIInChI=1S/C17H20N2O4S2/c1-18-17(20)16-9-14(11-24-16)25(21,22)19-10-12-6-7-23-15-5-3-2-4-13(15)8-12/h2-5,9,11-12,19H,6-8,10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyKFLDUCKFCQKUDO-GFCCVEGCSA-N
XLogP2.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
CID 97117712
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
1,3,5-trimethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyrazole-4-sulfonamide
CID 72920988
4-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperidine-1-sulfonamide
CID 72905660
7-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 74236452
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide
CID 72925890
3-(benzenesulfonyl)-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]propanamide
CID 97206326
N-(2-methylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6504124
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide (CID 97204550) is N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCOc3ccccc3C2)cs1.
What is the InChIKey of N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is KFLDUCKFCQKUDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-18-17(20)16-9-14(11-24-16)25(21,22)19-10-12-6-7-23-15-5-3-2-4-13(15)8-12/h2-5,9,11-12,19H,6-8,10H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 97204550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).