1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea

C18H24N4O3S — CID 55701761

IUPAC1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCc1cc(N(C)C)ccc1NC(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N4O3S/c1-12-11-15(22(3)4)7-10-17(12)21-18(23)20-13(2)14-5-8-16(9-6-14)26(19,24)25/h5-11,13H,1-4H3,(H2,19,24,25)(H2,20,21,23)
InChIKeySQHKKSBCUKPZLQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.59
Rot. Bonds5

About 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea

1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 55701761) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID55701761
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCc1cc(N(C)C)ccc1NC(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N4O3S/c1-12-11-15(22(3)4)7-10-17(12)21-18(23)20-13(2)14-5-8-16(9-6-14)26(19,24)25/h5-11,13H,1-4H3,(H2,19,24,25)(H2,20,21,23)
InChIKeySQHKKSBCUKPZLQ-UHFFFAOYSA-N
XLogP2.59
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591
1-[4-[benzyl(methyl)amino]phenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 60543342
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010
1-(2-methylphenyl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 8684457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea (CID 55701761) is 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea is Cc1cc(N(C)C)ccc1NC(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is SQHKKSBCUKPZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-11-15(22(3)4)7-10-17(12)21-18(23)20-13(2)14-5-8-16(9-6-14)26(19,24)25/h5-11,13H,1-4H3,(H2,19,24,25)(H2,20,21,23).
What are the key properties of 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea?
1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 376.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55701761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).