N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide

C21H27N3O3S — CID 60534416

IUPACN-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-3-16(2)17-10-12-18(13-11-17)28(26,27)23-20-9-5-4-8-19(20)22-21(25)24-14-6-7-15-24/h4-5,8-13,16,23H,3,6-7,14-15H2,1-2H3,(H,22,25)
InChIKeyJKFVPNMPNYBIHO-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.63
Rot. Bonds6

About N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide

N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 60534416) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide
PubChem CID60534416
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-3-16(2)17-10-12-18(13-11-17)28(26,27)23-20-9-5-4-8-19(20)22-21(25)24-14-6-7-15-24/h4-5,8-13,16,23H,3,6-7,14-15H2,1-2H3,(H,22,25)
InChIKeyJKFVPNMPNYBIHO-UHFFFAOYSA-N
XLogP4.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carboxamide
CID 17217976
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077
4-butan-2-yl-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663349
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7369582
N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 6459006
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
1-(4-butan-2-ylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679001
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide (CID 60534416) is N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is JKFVPNMPNYBIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-16(2)17-10-12-18(13-11-17)28(26,27)23-20-9-5-4-8-19(20)22-21(25)24-14-6-7-15-24/h4-5,8-13,16,23H,3,6-7,14-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60534416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).