N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide

C22H31NO4S2 — CID 121179187

IUPACN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1C
InChIInChI=1S/C22H31NO4S2/c1-4-13-27-19-8-7-18(14-16(19)2)29(25,26)23-15-22(11-5-6-12-22)21-10-9-20(28-21)17(3)24/h7-10,14,17,23-24H,4-6,11-13,15H2,1-3H3
InChIKeyVTLVGPRCKLAASR-UHFFFAOYSA-N
MW437.63 g/mol
LogP4.69
Rot. Bonds9

About N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide (PubChem CID 121179187) has the molecular formula C22H31NO4S2 and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide
PubChem CID121179187
Molecular FormulaC22H31NO4S2
Molecular Weight437.63 g/mol
Exact Mass437.17
IUPAC NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1C
InChIInChI=1S/C22H31NO4S2/c1-4-13-27-19-8-7-18(14-16(19)2)29(25,26)23-15-22(11-5-6-12-22)21-10-9-20(28-21)17(3)24/h7-10,14,17,23-24H,4-6,11-13,15H2,1-3H3
InChIKeyVTLVGPRCKLAASR-UHFFFAOYSA-N
XLogP4.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121179165
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179144
N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100721790
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 100721577
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzenesulfonamide
CID 121179152
2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide
CID 121179138
5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 121179141
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 91817514
N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90498901
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 90581247
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 100721845
3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179059

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide (CID 121179187) is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1C.
What is the InChIKey of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
The InChIKey is VTLVGPRCKLAASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4S2/c1-4-13-27-19-8-7-18(14-16(19)2)29(25,26)23-15-22(11-5-6-12-22)21-10-9-20(28-21)17(3)24/h7-10,14,17,23-24H,4-6,11-13,15H2,1-3H3.
What are the key properties of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide has a molecular weight of 437.63 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 121179187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).