4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide

C17H26N2O4S — CID 40742865

IUPAC4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCc1cccc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C17H26N2O4S/c1-14-6-3-7-15(12-14)19(24(2,21)22)10-4-9-17(20)18-13-16-8-5-11-23-16/h3,6-7,12,16H,4-5,8-11,13H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyGRWXKTDNDXWILH-MRXNPFEDSA-N
MW354.47 g/mol
LogP1.84
Rot. Bonds8

About 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide

4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide (PubChem CID 40742865) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
PubChem CID40742865
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCc1cccc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C17H26N2O4S/c1-14-6-3-7-15(12-14)19(24(2,21)22)10-4-9-17(20)18-13-16-8-5-11-23-16/h3,6-7,12,16H,4-5,8-11,13H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyGRWXKTDNDXWILH-MRXNPFEDSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
4-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125052199
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125059758
2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133160858
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113147211
3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113146467
2-[4-(3-methoxy-N-methylsulfonylanilino)butanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 125058359
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide (CID 40742865) is 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide is Cc1cccc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1.
What is the InChIKey of 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The InChIKey is GRWXKTDNDXWILH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14-6-3-7-15(12-14)19(24(2,21)22)10-4-9-17(20)18-13-16-8-5-11-23-16/h3,6-7,12,16H,4-5,8-11,13H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide has a molecular weight of 354.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 40742865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).