1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea

C22H39N3O3S — CID 67829685

IUPAC1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea
SMILESCCCCN(CCCC)S(=O)(=O)N(CC(C)C)C(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C22H39N3O3S/c1-7-9-16-23(17-10-8-2)29(27,28)24(18-19(3)4)22(26)25(20(5)6)21-14-12-11-13-15-21/h11-15,19-20H,7-10,16-18H2,1-6H3
InChIKeyDEMVWGHUJACTLP-UHFFFAOYSA-N
MW425.64 g/mol
LogP5.13
Rot. Bonds12

About 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea

1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea (PubChem CID 67829685) has the molecular formula C22H39N3O3S and a molecular weight of 425.64 g/mol. Its IUPAC name is 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea
PubChem CID67829685
Molecular FormulaC22H39N3O3S
Molecular Weight425.64 g/mol
Exact Mass425.27
IUPAC Name1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea
SMILESCCCCN(CCCC)S(=O)(=O)N(CC(C)C)C(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C22H39N3O3S/c1-7-9-16-23(17-10-8-2)29(27,28)24(18-19(3)4)22(26)25(20(5)6)21-14-12-11-13-15-21/h11-15,19-20H,7-10,16-18H2,1-6H3
InChIKeyDEMVWGHUJACTLP-UHFFFAOYSA-N
XLogP5.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
[(1S,2S)-1,2-diphenylhexyl] N-phenyl-N-propan-2-ylcarbamate
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4-amino-N-butyl-N-phenylpentanamide
CID 64585388
N-butyl-N-(2-methylpentyl)aniline
CID 23123551
N-(dipropylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 70273329
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
[butyl(propan-2-yl)amino] benzoate
CID 163908227
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-N-(2-chloroethyl)-2-phenylpropane-1-sulfonamide
CID 80687556
(2S)-2-(N-octylanilino)propanamide
CID 138373855
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea?
The IUPAC name of 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea (CID 67829685) is 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea?
The canonical SMILES for 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea is CCCCN(CCCC)S(=O)(=O)N(CC(C)C)C(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea?
The InChIKey is DEMVWGHUJACTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O3S/c1-7-9-16-23(17-10-8-2)29(27,28)24(18-19(3)4)22(26)25(20(5)6)21-14-12-11-13-15-21/h11-15,19-20H,7-10,16-18H2,1-6H3.
What are the key properties of 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea?
1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea has a molecular weight of 425.64 g/mol, XLogP of 5.13, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylsulfamoyl)-1-(2-methylpropyl)-3-phenyl-3-propan-2-ylurea is sourced from PubChem (CID 67829685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).