N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide

C23H27N3O4S3 — CID 69154834

IUPACN-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1
InChIInChI=1S/C23H27N3O4S3/c1-17(18-8-9-18)15-24-16-19-5-2-3-6-22(19)26-32(27,28)21-12-10-20(11-13-21)25-33(29,30)23-7-4-14-31-23/h2-7,10-14,17-18,24-26H,8-9,15-16H2,1H3
InChIKeyUWYXJTFGQPOBDN-UHFFFAOYSA-N
MW505.69 g/mol
LogP4.49
Rot. Bonds11

About N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide

N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 69154834) has the molecular formula C23H27N3O4S3 and a molecular weight of 505.69 g/mol. Its IUPAC name is N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID69154834
Molecular FormulaC23H27N3O4S3
Molecular Weight505.69 g/mol
Exact Mass505.12
IUPAC NameN-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1
InChIInChI=1S/C23H27N3O4S3/c1-17(18-8-9-18)15-24-16-19-5-2-3-6-22(19)26-32(27,28)21-12-10-20(11-13-21)25-33(29,30)23-7-4-14-31-23/h2-7,10-14,17-18,24-26H,8-9,15-16H2,1H3
InChIKeyUWYXJTFGQPOBDN-UHFFFAOYSA-N
XLogP4.49
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.69
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606461
[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate
CID 69154090
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
1-[(2-cyclopropylpropylamino)methyl]-2-(sulfinatoamino)benzene
CID 91357847
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 91030950
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide
CID 91155480
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 42998818
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-6-(tetrazol-1-yl)pyridine-3-sulfonamide
CID 91195144
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 68950844

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 69154834) is N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide is CC(CNCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1.
What is the InChIKey of N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is UWYXJTFGQPOBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S3/c1-17(18-8-9-18)15-24-16-19-5-2-3-6-22(19)26-32(27,28)21-12-10-20(11-13-21)25-33(29,30)23-7-4-14-31-23/h2-7,10-14,17-18,24-26H,8-9,15-16H2,1H3.
What are the key properties of N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 505.69 g/mol, XLogP of 4.49, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 69154834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).