N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide

C21H29NO3S2 — CID 121179144

IUPACN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)c(C)c1
InChIInChI=1S/C21H29NO3S2/c1-14-11-15(2)20(16(3)12-14)27(24,25)22-13-21(9-5-6-10-21)19-8-7-18(26-19)17(4)23/h7-8,11-12,17,22-23H,5-6,9-10,13H2,1-4H3
InChIKeyFYADJUWWKYAZAV-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.52
Rot. Bonds6

About N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 121179144) has the molecular formula C21H29NO3S2 and a molecular weight of 407.60 g/mol. Its IUPAC name is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID121179144
Molecular FormulaC21H29NO3S2
Molecular Weight407.60 g/mol
Exact Mass407.16
IUPAC NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)c(C)c1
InChIInChI=1S/C21H29NO3S2/c1-14-11-15(2)20(16(3)12-14)27(24,25)22-13-21(9-5-6-10-21)19-8-7-18(26-19)17(4)23/h7-8,11-12,17,22-23H,5-6,9-10,13H2,1-4H3
InChIKeyFYADJUWWKYAZAV-UHFFFAOYSA-N
XLogP4.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 100721577
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 100721845
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
CID 121179107
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-[[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]-3-methyl-4-propoxybenzenesulfonamide
CID 121179187
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzenesulfonamide
CID 121179152
N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100721790
1-(3,5-dimethylphenyl)-3-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]urea
CID 121179309
1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
CID 121179132

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 121179144) is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)c(C)c1.
What is the InChIKey of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is FYADJUWWKYAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3S2/c1-14-11-15(2)20(16(3)12-14)27(24,25)22-13-21(9-5-6-10-21)19-8-7-18(26-19)17(4)23/h7-8,11-12,17,22-23H,5-6,9-10,13H2,1-4H3.
What are the key properties of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 407.60 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 121179144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).